4-[chloro(methyl)amino]butanoic acid

C5H10ClNO2 — CID 88555223

IUPAC4-[chloro(methyl)amino]butanoic acid
SMILESCN(Cl)CCCC(=O)O
InChIInChI=1S/C5H10ClNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyFMWZFOAQWLBHKV-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.94
Rot. Bonds4

About 4-[chloro(methyl)amino]butanoic acid

4-[chloro(methyl)amino]butanoic acid (PubChem CID 88555223) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 4-[chloro(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[chloro(methyl)amino]butanoic acid
PubChem CID88555223
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name4-[chloro(methyl)amino]butanoic acid
SMILESCN(Cl)CCCC(=O)O
InChIInChI=1S/C5H10ClNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyFMWZFOAQWLBHKV-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 4-[chloro(methyl)amino]butanoic 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-Trimethylammoniobutanoate
CID 134
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
3-Carboxypropyl(triethyl)azanium
CID 15278121

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(methyl)amino]butanoic acid?
The IUPAC name of 4-[chloro(methyl)amino]butanoic acid (CID 88555223) is 4-[chloro(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[chloro(methyl)amino]butanoic acid?
The canonical SMILES for 4-[chloro(methyl)amino]butanoic acid is CN(Cl)CCCC(=O)O.
What is the InChIKey of 4-[chloro(methyl)amino]butanoic acid?
The InChIKey is FMWZFOAQWLBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-7(6)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9).
What are the key properties of 4-[chloro(methyl)amino]butanoic acid?
4-[chloro(methyl)amino]butanoic acid has a molecular weight of 151.59 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(methyl)amino]butanoic acid is sourced from PubChem (CID 88555223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).