2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid

C14H19ClN2O2 — CID 117454603

IUPAC2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
SMILESNC(Cc1cc(Cl)ccc1N1CCCCC1)C(=O)O
InChIInChI=1S/C14H19ClN2O2/c15-11-4-5-13(17-6-2-1-3-7-17)10(8-11)9-12(16)14(18)19/h4-5,8,12H,1-3,6-7,9,16H2,(H,18,19)
InChIKeyQYGWNVBWKIVQRK-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid

2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid (PubChem CID 117454603) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
PubChem CID117454603
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
SMILESNC(Cc1cc(Cl)ccc1N1CCCCC1)C(=O)O
InChIInChI=1S/C14H19ClN2O2/c15-11-4-5-13(17-6-2-1-3-7-17)10(8-11)9-12(16)14(18)19/h4-5,8,12H,1-3,6-7,9,16H2,(H,18,19)
InChIKeyQYGWNVBWKIVQRK-UHFFFAOYSA-N
XLogP2.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-nitro-2-pyrrolidin-1-ylphenyl)propanoic acid
CID 170879305
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
2-amino-3-[2-(azetidin-1-yl)-5-(2-fluoroethoxy)phenyl]propanoic acid
CID 90345466
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
CID 170880009
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
3-[2-(2-amino-2-carboxyethyl)-4-chlorophenyl]-2-methylpropanoic acid
CID 18956360
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
CID 159647183

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid (CID 117454603) is 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid is NC(Cc1cc(Cl)ccc1N1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is QYGWNVBWKIVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-4-5-13(17-6-2-1-3-7-17)10(8-11)9-12(16)14(18)19/h4-5,8,12H,1-3,6-7,9,16H2,(H,18,19).
What are the key properties of 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 282.77 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 117454603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).