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

C11H16N2O4 — CID 119209404

IUPAC2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16)
InChIKeyKAFWTEZRLPAKCJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.34
Rot. Bonds4

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

2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119209404) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119209404
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16)
InChIKeyKAFWTEZRLPAKCJ-UHFFFAOYSA-N
XLogP1.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
N-(1-chloropropan-2-yl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 104555874
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105
3-(1-aminoethyl)-1,2-oxazole-5-carboxylic acid
CID 67395403
2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119209552
(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119366892
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119209404) is 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is KAFWTEZRLPAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16).
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119209404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).