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

C12H17N3O3 — CID 104741920

IUPAC(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)10-8(13)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,15,16)(H,17,18)/t7?,9-/m0/s1
InChIKeyGDUHMVVFHDARCT-NETXQHHPSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds5

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

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 104741920) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
PubChem CID104741920
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)10-8(13)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,15,16)(H,17,18)/t7?,9-/m0/s1
InChIKeyGDUHMVVFHDARCT-NETXQHHPSA-N
XLogP0.89
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid (CID 104741920) is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O.
What is the InChIKey of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is GDUHMVVFHDARCT-NETXQHHPSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-7(2)9(12(17)18)15-11(16)10-8(13)5-4-6-14-10/h4-7,9H,3,13H2,1-2H3,(H,15,16)(H,17,18)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid?
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.89, 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-methylpentanoic acid is sourced from PubChem (CID 104741920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).