5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid

C13H18N2O3 — CID 61404005

IUPAC5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
SMILESCNCc1ccccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-9-10-5-2-3-6-11(10)15-12(16)7-4-8-13(17)18/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIOESDJCDIGMNCL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds7

About 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid

5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid (PubChem CID 61404005) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
PubChem CID61404005
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
SMILESCNCc1ccccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-9-10-5-2-3-6-11(10)15-12(16)7-4-8-13(17)18/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyIOESDJCDIGMNCL-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic 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

N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
2-[2-[2-(methylaminomethyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569724
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
N-[2-(methylaminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805508
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid (CID 61404005) is 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid is CNCc1ccccc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid?
The InChIKey is IOESDJCDIGMNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-9-10-5-2-3-6-11(10)15-12(16)7-4-8-13(17)18/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid?
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 61404005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).