(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid

C15H15N3O3 — CID 104741915

IUPAC(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESNc1cccnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-11-7-4-8-17-13(11)14(19)18-12(15(20)21)9-10-5-2-1-3-6-10/h1-8,12H,9,16H2,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyMIQHZJSMOPVDSO-LBPRGKRZSA-N
MW285.30 g/mol
LogP1.09
Rot. Bonds5

About (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 104741915) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID104741915
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESNc1cccnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-11-7-4-8-17-13(11)14(19)18-12(15(20)21)9-10-5-2-1-3-6-10/h1-8,12H,9,16H2,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyMIQHZJSMOPVDSO-LBPRGKRZSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 167982530
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315066
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid (CID 104741915) is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid is Nc1cccnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is MIQHZJSMOPVDSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-11-7-4-8-17-13(11)14(19)18-12(15(20)21)9-10-5-2-1-3-6-10/h1-8,12H,9,16H2,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104741915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).