2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid

C15H20N2O2 — CID 106166435

IUPAC2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid
SMILESCc1cc(NCCC2=CCCC2)cc(C(=O)O)c1N
InChIInChI=1S/C15H20N2O2/c1-10-8-12(9-13(14(10)16)15(18)19)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3,(H,18,19)
InChIKeyDSCZXYDJXNSDBD-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid

2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid (PubChem CID 106166435) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid
PubChem CID106166435
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid
SMILESCc1cc(NCCC2=CCCC2)cc(C(=O)O)c1N
InChIInChI=1S/C15H20N2O2/c1-10-8-12(9-13(14(10)16)15(18)19)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3,(H,18,19)
InChIKeyDSCZXYDJXNSDBD-UHFFFAOYSA-N
XLogP3.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[2-(cyclopenten-1-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 106178585
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
CID 106178566
2-amino-3-methyl-5-[(1-methylcyclobutyl)methylamino]benzoic acid
CID 114107353
4-[2-(cyclopenten-1-yl)ethylamino]-2-nitrobenzoic acid
CID 106177272
4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 114009317
2-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-methylbenzoic acid
CID 115358128
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
2-amino-5-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 106899340
2-amino-3-methyl-5-(2,3,3-trimethylbutylamino)benzoic acid
CID 83143214
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid?
The IUPAC name of 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid (CID 106166435) is 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid.
What is the SMILES notation for 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid?
The canonical SMILES for 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid is Cc1cc(NCCC2=CCCC2)cc(C(=O)O)c1N.
What is the InChIKey of 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid?
The InChIKey is DSCZXYDJXNSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-8-12(9-13(14(10)16)15(18)19)17-7-6-11-4-2-3-5-11/h4,8-9,17H,2-3,5-7,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid?
2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(cyclopenten-1-yl)ethylamino]-3-methylbenzoic acid is sourced from PubChem (CID 106166435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).