(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid

C15H15N3O3 — CID 146352508

IUPAC(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(C(=O)Nc2cccnc2)cc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-13(15(20)21)8-10-3-5-11(6-4-10)14(19)18-12-2-1-7-17-9-12/h1-7,9,13H,8,16H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyRJTQKXBDOFCYSI-ZDUSSCGKSA-N
MW285.30 g/mol
LogP1.29
Rot. Bonds5

About (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid (PubChem CID 146352508) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
PubChem CID146352508
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(C(=O)Nc2cccnc2)cc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-13(15(20)21)8-10-3-5-11(6-4-10)14(19)18-12-2-1-7-17-9-12/h1-7,9,13H,8,16H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyRJTQKXBDOFCYSI-ZDUSSCGKSA-N
XLogP1.29
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
(2S)-2-amino-3-[4-[1-methyl-3-(pyridin-3-ylcarbamoyl)pyrazol-4-yl]phenyl]propanoic acid
CID 172529675
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
(2S)-2-amino-3-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]propanoic acid
CID 146352515
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid (CID 146352508) is (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid is N[C@@H](Cc1ccc(C(=O)Nc2cccnc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid?
The InChIKey is RJTQKXBDOFCYSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13(15(20)21)8-10-3-5-11(6-4-10)14(19)18-12-2-1-7-17-9-12/h1-7,9,13H,8,16H2,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid is sourced from PubChem (CID 146352508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).