4-(methylamino)pentanoic acid

C6H13NO2 — CID 22714598

IUPAC4-(methylamino)pentanoic acid
SMILESCNC(C)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(7-2)3-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFTNSJGNMQRMLBJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About 4-(methylamino)pentanoic acid

4-(methylamino)pentanoic acid (PubChem CID 22714598) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(methylamino)pentanoic acid
PubChem CID22714598
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-(methylamino)pentanoic acid
SMILESCNC(C)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-5(7-2)3-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFTNSJGNMQRMLBJ-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(methylamino)pentanoic 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-Aminobutyric Acid
CID 223130
4-(Methylamino)butyric acid
CID 70703
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Amino-5-fluoropentanoic acid
CID 130363
CID 5289553
CID 5289553
(S)-5-Mercapto-4-methylamino-pentanoic acid
CID 44276209
N-Methyl-L-norvaline
CID 7010353
4-Amino Hexanoic Acid
CID 46936928
4-Aminohexanoic acid
CID 138490
2-Amino-4-(methylamino)butanoic acid
CID 21295102

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pentanoic acid?
The IUPAC name of 4-(methylamino)pentanoic acid (CID 22714598) is 4-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(methylamino)pentanoic acid?
The canonical SMILES for 4-(methylamino)pentanoic acid is CNC(C)CCC(=O)O.
What is the InChIKey of 4-(methylamino)pentanoic acid?
The InChIKey is FTNSJGNMQRMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7-2)3-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-(methylamino)pentanoic acid?
4-(methylamino)pentanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pentanoic acid is sourced from PubChem (CID 22714598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).