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

C10H14N2O4 — CID 110836444

IUPAC3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C10H14N2O4/c1-6-5-11-16-9(6)10(15)12(3)7(2)4-8(13)14/h5,7H,4H2,1-3H3,(H,13,14)
InChIKeyVSSDVTPNXPARMR-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.92
Rot. Bonds4

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

3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 110836444) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID110836444
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1cnoc1C(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C10H14N2O4/c1-6-5-11-16-9(6)10(15)12(3)7(2)4-8(13)14/h5,7H,4H2,1-3H3,(H,13,14)
InChIKeyVSSDVTPNXPARMR-UHFFFAOYSA-N
XLogP0.92
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
4-[(4-methyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]butanoic acid
CID 66336296
3-[(3-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836862
N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335744
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 79386735
3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836550
3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
CID 110836290
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334775
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 110836444) is 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is Cc1cnoc1C(=O)N(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is VSSDVTPNXPARMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-5-11-16-9(6)10(15)12(3)7(2)4-8(13)14/h5,7H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).