(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide

C9H17NO3 — CID 130735264

IUPAC(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
SMILESCC(O)C(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)8-4-3-5-13-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6?,7?,8-/m0/s1
InChIKeyCJAWFUMPORBHBZ-RRQHEKLDSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds3

About (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide

(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide (PubChem CID 130735264) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
PubChem CID130735264
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
SMILESCC(O)C(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)8-4-3-5-13-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6?,7?,8-/m0/s1
InChIKeyCJAWFUMPORBHBZ-RRQHEKLDSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-(6-methylheptan-2-yl)oxolane-2-carboxamide
CID 3653544
(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
CID 163590521

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide (CID 130735264) is (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide is CC(O)C(C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide?
The InChIKey is CJAWFUMPORBHBZ-RRQHEKLDSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7(2)11)10-9(12)8-4-3-5-13-8/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide?
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 130735264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).