(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid

C12H13N3O3 — CID 98538518

IUPAC(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(C#N)cn1)C(=O)O
InChIInChI=1S/C12H13N3O3/c1-2-3-10(12(17)18)15-11(16)9-5-4-8(6-13)7-14-9/h4-5,7,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBITFQKBEMAAOBZ-SNVBAGLBSA-N
MW247.25 g/mol
LogP0.94
Rot. Bonds5

About (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid

(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 98538518) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
PubChem CID98538518
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(C#N)cn1)C(=O)O
InChIInChI=1S/C12H13N3O3/c1-2-3-10(12(17)18)15-11(16)9-5-4-8(6-13)7-14-9/h4-5,7,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyBITFQKBEMAAOBZ-SNVBAGLBSA-N
XLogP0.94
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
5-cyano-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001137
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
5-cyano-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001134
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid (CID 98538518) is (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(C#N)cn1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is BITFQKBEMAAOBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-3-10(12(17)18)15-11(16)9-5-4-8(6-13)7-14-9/h4-5,7,10H,2-3H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 98538518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).