N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide

C12H22N2O3 — CID 162789996

IUPACN-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)NC1COC(CNC(=O)C2CC2)C1O
InChIInChI=1S/C12H22N2O3/c1-7(2)14-9-6-17-10(11(9)15)5-13-12(16)8-3-4-8/h7-11,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyOPIOSYWJHAVCBN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds5

About N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 162789996) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID162789996
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)NC1COC(CNC(=O)C2CC2)C1O
InChIInChI=1S/C12H22N2O3/c1-7(2)14-9-6-17-10(11(9)15)5-13-12(16)8-3-4-8/h7-11,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyOPIOSYWJHAVCBN-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
1-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75367101
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536547
1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536725
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
CID 125416685
1-[[4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 162971475
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536549
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536517
(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
CID 170289565
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536720

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 162789996) is N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide is CC(C)NC1COC(CNC(=O)C2CC2)C1O.
What is the InChIKey of N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is OPIOSYWJHAVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)14-9-6-17-10(11(9)15)5-13-12(16)8-3-4-8/h7-11,14-15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 162789996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).