carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane

C76H138N12O22 — CID 163774836

IUPACcarbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane
SMILESC.C.C.C.C.C.C.CC(C)C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1O.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1O.O=C=O
InChIInChI=1S/C17H27N3O4.2C16H25N3O5.C15H23N3O6.C4H10.CO2.7CH4/c1-10(2)8-15(21)18-14-6-7-20(17(22)19-14)16-12(4)11(3)13(24-16)9-23-5;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-10(3)14(21)11(24-15)8-23-4;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-14(21)10(3)11(24-15)8-23-4;1-8(2)6-11(19)16-10-4-5-18(15(22)17-10)14-13(21)12(20)9(24-14)7-23-3;1-4(2)3;2-1-3;;;;;;;/h6-7,10-13,16H,8-9H2,1-5H3,(H,18,19,21,22);2*5-6,9-11,14-15,21H,7-8H2,1-4H3,(H,17,18,20,22);4-5,8-9,12-14,20-21H,6-7H2,1-3H3,(H,16,17,19,22);4H,1-3H3;;7*1H4/t11?,12-,13-,16-;10-,11-,14?,15-;10?,11-,14-,15-;9-,12?,13-,14-;;;;;;;;;/m1111........./s1
InChIKeyMJMVJZNCKNOMLK-NJYDZIGVSA-N
MW1572.00 g/mol
LogP8.61
Rot. Bonds24

About carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane

carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane (PubChem CID 163774836) has the molecular formula C76H138N12O22 and a molecular weight of 1572.00 g/mol. Its IUPAC name is carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane.

Molecular Properties

Compound Namecarbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane
PubChem CID163774836
Molecular FormulaC76H138N12O22
Molecular Weight1572.00 g/mol
Exact Mass1571.00
IUPAC Namecarbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane
SMILESC.C.C.C.C.C.C.CC(C)C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1O.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1O.O=C=O
InChIInChI=1S/C17H27N3O4.2C16H25N3O5.C15H23N3O6.C4H10.CO2.7CH4/c1-10(2)8-15(21)18-14-6-7-20(17(22)19-14)16-12(4)11(3)13(24-16)9-23-5;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-10(3)14(21)11(24-15)8-23-4;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-14(21)10(3)11(24-15)8-23-4;1-8(2)6-11(19)16-10-4-5-18(15(22)17-10)14-13(21)12(20)9(24-14)7-23-3;1-4(2)3;2-1-3;;;;;;;/h6-7,10-13,16H,8-9H2,1-5H3,(H,18,19,21,22);2*5-6,9-11,14-15,21H,7-8H2,1-4H3,(H,17,18,20,22);4-5,8-9,12-14,20-21H,6-7H2,1-3H3,(H,16,17,19,22);4H,1-3H3;;7*1H4/t11?,12-,13-,16-;10-,11-,14?,15-;10?,11-,14-,15-;9-,12?,13-,14-;;;;;;;;;/m1111........./s1
InChIKeyMJMVJZNCKNOMLK-NJYDZIGVSA-N
XLogP8.61
TPSA444.86 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.00
LogP ≤ 58.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
CID 163922731
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
2-amino-4-[[1-[5-(3-carboxypropanoyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoic acid
CID 168890671
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 162940499
(2S)-2-amino-5-[[1-[(2R,5R)-5-[[(4S)-4-amino-4-carboxybutanoyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 174075241
5-[[5-[4-[[(3S)-3-amino-3-carboxypropanoyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-5-oxopentanoic acid
CID 168890670
N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide
CID 58196295
(2S)-2-amino-5-[[1-[(2R,5R)-5-[[(2S)-2-amino-4-carboxybutanoyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 174075243
[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 176874079
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(nonadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 149150003
N-[1-[(2R,3R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 118705340
(2S)-2-amino-N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 11948635

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane?
The IUPAC name of carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane (CID 163774836) is carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane.
What is the SMILES notation for carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane?
The canonical SMILES for carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane is C.C.C.C.C.C.C.CC(C)C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](C)C1O.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1C.COC[C@H]1O[C@@H](n2ccc(NC(=O)CC(C)C)nc2=O)[C@H](O)C1O.O=C=O.
What is the InChIKey of carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane?
The InChIKey is MJMVJZNCKNOMLK-NJYDZIGVSA-N. The full InChI is InChI=1S/C17H27N3O4.2C16H25N3O5.C15H23N3O6.C4H10.CO2.7CH4/c1-10(2)8-15(21)18-14-6-7-20(17(22)19-14)16-12(4)11(3)13(24-16)9-23-5;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-10(3)14(21)11(24-15)8-23-4;1-9(2)7-13(20)17-12-5-6-19(16(22)18-12)15-14(21)10(3)11(24-15)8-23-4;1-8(2)6-11(19)16-10-4-5-18(15(22)17-10)14-13(21)12(20)9(24-14)7-23-3;1-4(2)3;2-1-3;;;;;;;/h6-7,10-13,16H,8-9H2,1-5H3,(H,18,19,21,22);2*5-6,9-11,14-15,21H,7-8H2,1-4H3,(H,17,18,20,22);4-5,8-9,12-14,20-21H,6-7H2,1-3H3,(H,16,17,19,22);4H,1-3H3;;7*1H4/t11?,12-,13-,16-;10-,11-,14?,15-;10?,11-,14-,15-;9-,12?,13-,14-;;;;;;;;;/m1111........./s1.
What are the key properties of carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane?
carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane has a molecular weight of 1572.00 g/mol, XLogP of 8.61, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-[1-[(2R,3R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5S)-3-hydroxy-5-(methoxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;N-[1-[(2R,3R,5R)-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;methane;N-[1-[(2R,3R,5S)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide;2-methylpropane is sourced from PubChem (CID 163774836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).