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

C11H14N2O4 — CID 43469491

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C2CC2)on1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-7(11(15)16)12-10(14)8-5-9(17-13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyCUCFLMWABFIRQZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.14
Rot. Bonds5

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

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 43469491) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID43469491
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C2CC2)on1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-7(11(15)16)12-10(14)8-5-9(17-13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyCUCFLMWABFIRQZ-UHFFFAOYSA-N
XLogP1.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119197846
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 113434991
(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 43469491) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(C2CC2)on1)C(=O)O.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is CUCFLMWABFIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-7(11(15)16)12-10(14)8-5-9(17-13-8)6-3-4-6/h5-7H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).