3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid

C14H14N2O2 — CID 156612944

IUPAC3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C14H14N2O2/c15-12(8-14(17)18)11-6-7-13(16-9-11)10-4-2-1-3-5-10/h1-7,9,12H,8,15H2,(H,17,18)
InChIKeyPFCTVKBKYXVXHX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid

3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid (PubChem CID 156612944) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
PubChem CID156612944
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C14H14N2O2/c15-12(8-14(17)18)11-6-7-13(16-9-11)10-4-2-1-3-5-10/h1-7,9,12H,8,15H2,(H,17,18)
InChIKeyPFCTVKBKYXVXHX-UHFFFAOYSA-N
XLogP2.22
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
CID 86314474
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3R)-3-amino-3-(6-nitro-3-pyridinyl)propanoic acid
CID 165347731
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
CID 84779004
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid (CID 156612944) is 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid is NC(CC(=O)O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid?
The InChIKey is PFCTVKBKYXVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-12(8-14(17)18)11-6-7-13(16-9-11)10-4-2-1-3-5-10/h1-7,9,12H,8,15H2,(H,17,18).
What are the key properties of 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid?
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 156612944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).