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

C9H12N2O4 — CID 20586201

IUPAC3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)no1
InChIInChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZWQRDZLWUKGOAA-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.53
Rot. Bonds4

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

3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 20586201) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID20586201
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)no1
InChIInChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZWQRDZLWUKGOAA-UHFFFAOYSA-N
XLogP0.53
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
3-[methyl-(4-methylfuran-2-carbonyl)amino]propanoic acid
CID 110836811
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 20586201) is 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N(C)CCC(=O)O)no1.
What is the InChIKey of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is ZWQRDZLWUKGOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 20586201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).