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

C11H14N2O4 — CID 43655885

IUPAC2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)11(16)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyCXSHNQGNXFHDGL-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds5

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

2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 43655885) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID43655885
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)11(16)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyCXSHNQGNXFHDGL-UHFFFAOYSA-N
XLogP0.92
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
Ethyl 4-[(3-methylisoxazol-5-yl)carbonyl]piperazinecarboxylate
CID 5307813
[(1R)-3-methyl-1-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetyl]amino]butyl]boronic acid
CID 153186851
Butanoic acid, 4-(((3-methyl-5-isoxazolyl)carbonyl)amino)-
CID 189689
N,N,5-Trimethyl-3-isoxazolecarboxamide
CID 10820772
N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 20868344
N,3-dimethyl-N-(4-methylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 51077165
N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 51077918
(5-Methyl-1,2-oxazol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53568339

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 43655885) is 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)CC2CC2)no1.
What is the InChIKey of 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is CXSHNQGNXFHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-4-9(12-17-7)11(16)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).