2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid

C14H18Cl2N2O2 — CID 170880009

IUPAC2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
SMILESNC(Cc1c(Cl)cc(N2CCCCC2)cc1Cl)C(=O)O
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-9(18-4-2-1-3-5-18)7-12(16)10(11)8-13(17)14(19)20/h6-7,13H,1-5,8,17H2,(H,19,20)
InChIKeyKPQZOBXDBZKNRH-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid

2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 170880009) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
PubChem CID170880009
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
SMILESNC(Cc1c(Cl)cc(N2CCCCC2)cc1Cl)C(=O)O
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-9(18-4-2-1-3-5-18)7-12(16)10(11)8-13(17)14(19)20/h6-7,13H,1-5,8,17H2,(H,19,20)
InChIKeyKPQZOBXDBZKNRH-UHFFFAOYSA-N
XLogP2.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
2-amino-3-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]propanoic acid
CID 117478260
(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
CID 129366754
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
2-amino-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanoic acid
CID 170879305
3-(2-amino-2-carboxyethyl)-7-chloro-1-benzofuran-2-carboxylic acid
CID 15324757
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
CID 23631709
2-amino-3-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]propanoic acid
CID 117455861
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid (CID 170880009) is 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid is NC(Cc1c(Cl)cc(N2CCCCC2)cc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is KPQZOBXDBZKNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-6-9(18-4-2-1-3-5-18)7-12(16)10(11)8-13(17)14(19)20/h6-7,13H,1-5,8,17H2,(H,19,20).
What are the key properties of 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid?
2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 317.22 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 170880009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).