2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid

C15H20N4O2 — CID 138032627

IUPAC2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid
SMILESCn1nnc2cc(CN(CC(=O)O)C3CCCC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-18-14-7-6-11(8-13(14)16-17-18)9-19(10-15(20)21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyKMZKQZHVCJXNAQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds5

About 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid

2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid (PubChem CID 138032627) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid
PubChem CID138032627
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid
SMILESCn1nnc2cc(CN(CC(=O)O)C3CCCC3)ccc21
InChIInChI=1S/C15H20N4O2/c1-18-14-7-6-11(8-13(14)16-17-18)9-19(10-15(20)21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,20,21)
InChIKeyKMZKQZHVCJXNAQ-UHFFFAOYSA-N
XLogP1.80
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

1H-Benzotriazol-1-ylacetic acid
CID 313450
alpha-Methyl-1H-benzotriazole-1-acetic acid
CID 2756596
2,2'-(((4-Methyl-1H-benzotriazol-1-yl)methyl)imino)bis(ethanol)
CID 174688
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N,N-diphenyl-acetamide
CID 1469769
Ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetate
CID 3229034
({2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetyl}-phenyl-amino)-acetic acid ethyl ester
CID 3229040
1-((Bis(2-hydroxyethyl)amino)methyl)-5-methyl-1H-benzotriazole
CID 13827790
Methyl 2-(5,6-dimethyl-3-oxidobenzotriazol-3-ium-1-yl)acetate
CID 85939598
Methyl 2-(5,6-dimethyl-3-oxidobenzotriazol-3-ium-1-yl)propanoate
CID 90674885
1-Butyl-3-carboxymethyl-benzotriazolium trifluoroacetate
CID 171904878
1-[4-[5-(Trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]propan-2-one
CID 3229083
5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylbenzotriazole
CID 28872776

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid (CID 138032627) is 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid is Cn1nnc2cc(CN(CC(=O)O)C3CCCC3)ccc21.
What is the InChIKey of 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid?
The InChIKey is KMZKQZHVCJXNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-14-7-6-11(8-13(14)16-17-18)9-19(10-15(20)21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid?
2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(1-methylbenzotriazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 138032627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).