N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide

C11H22N2O3 — CID 79249718

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(4-14)13-11(15)8-5-16-6-10(8)12-3/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyHANRXTUGEFIAHM-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.65
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 79249718) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID79249718
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(4-14)13-11(15)8-5-16-6-10(8)12-3/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyHANRXTUGEFIAHM-UHFFFAOYSA-N
XLogP-0.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
3,3-dimethyl-2-[[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66266624
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 107860965
4-(ethylamino)-N-(1-methoxy-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 66258351
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
CID 66264849
4-(methylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 66265401
4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
4-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]oxolane-3-carboxamide
CID 66266793
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide (CID 79249718) is N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is HANRXTUGEFIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)9(4-14)13-11(15)8-5-16-6-10(8)12-3/h7-10,12,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 79249718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).