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

C11H15N3O3 — CID 104741916

IUPAC(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6(2)8(11(16)17)14-10(15)9-7(12)4-3-5-13-9/h3-6,8H,12H2,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyVFMSTQGTBIHLDO-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds4

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

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 104741916) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID104741916
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6(2)8(11(16)17)14-10(15)9-7(12)4-3-5-13-9/h3-6,8H,12H2,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyVFMSTQGTBIHLDO-QMMMGPOBSA-N
XLogP0.50
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
3-methyl-2-(pyrimidine-2-carbonylamino)butanoic acid
CID 115729571
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid (CID 104741916) is (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1ncccc1N)C(=O)O.
What is the InChIKey of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is VFMSTQGTBIHLDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(2)8(11(16)17)14-10(15)9-7(12)4-3-5-13-9/h3-6,8H,12H2,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.50, 4 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-methylbutanoic acid is sourced from PubChem (CID 104741916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).