3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid

C13H18ClNO2 — CID 19776431

IUPAC3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
SMILESCN(CCCc1ccc(Cl)cc1)CCC(=O)O
InChIInChI=1S/C13H18ClNO2/c1-15(10-8-13(16)17)9-2-3-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyZRLVTMUCRYNZMD-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.68
Rot. Bonds7

About 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid

3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid (PubChem CID 19776431) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
PubChem CID19776431
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
SMILESCN(CCCc1ccc(Cl)cc1)CCC(=O)O
InChIInChI=1S/C13H18ClNO2/c1-15(10-8-13(16)17)9-2-3-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyZRLVTMUCRYNZMD-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
CID 142157009
4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
CID 115219149
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid?
The IUPAC name of 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid (CID 19776431) is 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid?
The canonical SMILES for 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid is CN(CCCc1ccc(Cl)cc1)CCC(=O)O.
What is the InChIKey of 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid?
The InChIKey is ZRLVTMUCRYNZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(10-8-13(16)17)9-2-3-11-4-6-12(14)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid?
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid has a molecular weight of 255.75 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid is sourced from PubChem (CID 19776431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).