2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C13H18N2O4 — CID 65486610

IUPAC2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(NC(=O)CC2(CC(=O)O)CCCC2)on1
InChIInChI=1S/C13H18N2O4/c1-9-6-11(19-15-9)14-10(16)7-13(8-12(17)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPIMIUPVMJCJBIK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.35
Rot. Bonds5

About 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 65486610) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID65486610
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1cc(NC(=O)CC2(CC(=O)O)CCCC2)on1
InChIInChI=1S/C13H18N2O4/c1-9-6-11(19-15-9)14-10(16)7-13(8-12(17)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPIMIUPVMJCJBIK-UHFFFAOYSA-N
XLogP2.35
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070753
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235067
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65488707
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[2-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61329241
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 65486610) is 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1cc(NC(=O)CC2(CC(=O)O)CCCC2)on1.
What is the InChIKey of 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is PIMIUPVMJCJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-6-11(19-15-9)14-10(16)7-13(8-12(17)18)4-2-3-5-13/h6H,2-5,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 65486610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).