(2R)-2-(oxolane-2-carbonylamino)propanoic acid

C8H13NO4 — CID 20848014

IUPAC(2R)-2-(oxolane-2-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CCCO1)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6?/m1/s1
InChIKeyGGRMWEILMDKVLH-LWOQYNTDSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds3

About (2R)-2-(oxolane-2-carbonylamino)propanoic acid

(2R)-2-(oxolane-2-carbonylamino)propanoic acid (PubChem CID 20848014) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R)-2-(oxolane-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(oxolane-2-carbonylamino)propanoic acid
PubChem CID20848014
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R)-2-(oxolane-2-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CCCO1)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6?/m1/s1
InChIKeyGGRMWEILMDKVLH-LWOQYNTDSA-N
XLogP-0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
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
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxolane-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(oxolane-2-carbonylamino)propanoic acid (CID 20848014) is (2R)-2-(oxolane-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(oxolane-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(oxolane-2-carbonylamino)propanoic acid is C[C@@H](NC(=O)C1CCCO1)C(=O)O.
What is the InChIKey of (2R)-2-(oxolane-2-carbonylamino)propanoic acid?
The InChIKey is GGRMWEILMDKVLH-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6?/m1/s1.
What are the key properties of (2R)-2-(oxolane-2-carbonylamino)propanoic acid?
(2R)-2-(oxolane-2-carbonylamino)propanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxolane-2-carbonylamino)propanoic acid is sourced from PubChem (CID 20848014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).