1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 61281404

IUPAC1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)CC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-9-14-7-10(19-9)8-15-11(16)6-13(12(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQGXJYQPBVYTBIU-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 61281404) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID61281404
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(CNC(=O)CC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-9-14-7-10(19-9)8-15-11(16)6-13(12(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQGXJYQPBVYTBIU-UHFFFAOYSA-N
XLogP2.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 61281404) is 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1ncc(CNC(=O)CC2(C(=O)O)CCCC2)s1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QGXJYQPBVYTBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-14-7-10(19-9)8-15-11(16)6-13(12(17)18)4-2-3-5-13/h7H,2-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61281404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).