2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid

C11H14N2O5 — CID 61243121

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(C2CC2)on1
InChIInChI=1S/C11H14N2O5/c14-4-3-7(11(16)17)12-10(15)8-5-9(18-13-8)6-1-2-6/h5-7,14H,1-4H2,(H,12,15)(H,16,17)
InChIKeyOCSJBTWMCMPQRF-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.12
Rot. Bonds6

About 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 61243121) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID61243121
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(C2CC2)on1
InChIInChI=1S/C11H14N2O5/c14-4-3-7(11(16)17)12-10(15)8-5-9(18-13-8)6-1-2-6/h5-7,14H,1-4H2,(H,12,15)(H,16,17)
InChIKeyOCSJBTWMCMPQRF-UHFFFAOYSA-N
XLogP0.12
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61242942
2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119197846
(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid (CID 61243121) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cc(C2CC2)on1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is OCSJBTWMCMPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-4-3-7(11(16)17)12-10(15)8-5-9(18-13-8)6-1-2-6/h5-7,14H,1-4H2,(H,12,15)(H,16,17).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).