2-(1-cyclopropylethylamino)-4-methylbenzoic acid

C13H17NO2 — CID 62711831

IUPAC2-(1-cyclopropylethylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC(C)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-8-3-6-11(13(15)16)12(7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5H2,1-2H3,(H,15,16)
InChIKeyGKYMMKNTUIKUBR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.90
Rot. Bonds4

About 2-(1-cyclopropylethylamino)-4-methylbenzoic acid

2-(1-cyclopropylethylamino)-4-methylbenzoic acid (PubChem CID 62711831) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-4-methylbenzoic acid
PubChem CID62711831
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1-cyclopropylethylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC(C)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-8-3-6-11(13(15)16)12(7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5H2,1-2H3,(H,15,16)
InChIKeyGKYMMKNTUIKUBR-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-cyclopropylethylamino)-4-methylbenzoic 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

4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
CID 43533362
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
2-[1-(4-bromophenyl)ethylamino]-4-methylbenzoic acid
CID 63513424
5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
2-(1-cyclopropylethylamino)-5-(dimethylsulfamoyl)benzoic acid
CID 60661669
4-(1-cyclohexylethylamino)-2,3-difluorobenzoic acid
CID 79837521
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 62709432
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-4-methylbenzoic acid?
The IUPAC name of 2-(1-cyclopropylethylamino)-4-methylbenzoic acid (CID 62711831) is 2-(1-cyclopropylethylamino)-4-methylbenzoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-4-methylbenzoic acid?
The canonical SMILES for 2-(1-cyclopropylethylamino)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(NC(C)C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-4-methylbenzoic acid?
The InChIKey is GKYMMKNTUIKUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-3-6-11(13(15)16)12(7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-cyclopropylethylamino)-4-methylbenzoic acid?
2-(1-cyclopropylethylamino)-4-methylbenzoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-4-methylbenzoic acid is sourced from PubChem (CID 62711831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).