1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H18N4O3 — CID 103882141

IUPAC1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(CNC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O3/c1-16-8-14-9(15-16)7-13-10(17)6-12(11(18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyGNBBRISLAXVCEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 103882141) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID103882141
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(CNC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N4O3/c1-16-8-14-9(15-16)7-13-10(17)6-12(11(18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyGNBBRISLAXVCEJ-UHFFFAOYSA-N
XLogP0.47
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 82412851
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 122109509
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 103882141) is 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cn1cnc(CNC(=O)CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GNBBRISLAXVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16-8-14-9(15-16)7-13-10(17)6-12(11(18)19)4-2-3-5-12/h8H,2-7H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103882141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).