(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide

C9H14N2O2 — CID 131134603

IUPAC(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H14N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyVZGHXMJQPUMPDM-JGVFFNPUSA-N
MW182.22 g/mol
LogP0.58
Rot. Bonds3

About (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide

(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide (PubChem CID 131134603) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide
PubChem CID131134603
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H14N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyVZGHXMJQPUMPDM-JGVFFNPUSA-N
XLogP0.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
CID 163590521
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
2-(oxane-2-carbonyl)butanenitrile
CID 62214799
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide (CID 131134603) is (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide is CC[C@@H](C#N)NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide?
The InChIKey is VZGHXMJQPUMPDM-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-7(6-10)11-9(12)8-4-3-5-13-8/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide?
(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide is sourced from PubChem (CID 131134603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).