4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

C9H12N2O4 — CID 66334475

IUPAC4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)NCCCC(=O)O
InChIInChI=1S/C9H12N2O4/c1-6-5-11-15-8(6)9(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyFZKPKZBPDOVHJM-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.58
Rot. Bonds5

About 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid

4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 66334475) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID66334475
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)NCCCC(=O)O
InChIInChI=1S/C9H12N2O4/c1-6-5-11-15-8(6)9(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyFZKPKZBPDOVHJM-UHFFFAOYSA-N
XLogP0.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
CID 66336296
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835178
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 66334475) is 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is Cc1cnoc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is FZKPKZBPDOVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-11-15-8(6)9(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 66334475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).