2-[(4-chlorophenyl)methylamino]pentanoic acid

C12H16ClNO2 — CID 43631664

IUPAC2-[(4-chlorophenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-2-3-11(12(15)16)14-8-9-4-6-10(13)7-5-9/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyZFUQYUMOLDQOMU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.68
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]pentanoic acid

2-[(4-chlorophenyl)methylamino]pentanoic acid (PubChem CID 43631664) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]pentanoic acid
PubChem CID43631664
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-[(4-chlorophenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-2-3-11(12(15)16)14-8-9-4-6-10(13)7-5-9/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyZFUQYUMOLDQOMU-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981
2-[(3,4-dimethylphenyl)methylamino]pentanoic acid
CID 54977543
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
2-[(2,3-dichloro-4-fluorophenyl)methylamino]pentanoic acid
CID 122039793
2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
CID 122039745
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
2-[(4-chloro-3-nitrophenyl)methylamino]pentanoic acid
CID 82364711
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-[[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]methylamino]pentanoic acid
CID 122039805
2-[(4-chlorophenyl)methylamino]-3-methylpentanoic acid
CID 14259258
(2S)-2-[(4-chlorophenyl)methylamino]-4-(4-methylphenyl)-4-oxobutanoic acid
CID 679892

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]pentanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]pentanoic acid (CID 43631664) is 2-[(4-chlorophenyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]pentanoic acid is CCCC(NCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]pentanoic acid?
The InChIKey is ZFUQYUMOLDQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-3-11(12(15)16)14-8-9-4-6-10(13)7-5-9/h4-7,11,14H,2-3,8H2,1H3,(H,15,16).
What are the key properties of 2-[(4-chlorophenyl)methylamino]pentanoic acid?
2-[(4-chlorophenyl)methylamino]pentanoic acid has a molecular weight of 241.72 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]pentanoic acid is sourced from PubChem (CID 43631664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).