(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid

C13H19N3O3 — CID 114326241

IUPAC(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccnc(CN)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-8(2)11(13(18)19)16-12(17)9-4-5-15-10(6-9)7-14/h4-6,8,11H,3,7,14H2,1-2H3,(H,16,17)(H,18,19)/t8?,11-/m0/s1
InChIKeyVJPYXEQZWSMRSW-LYNSQETBSA-N
MW265.31 g/mol
LogP0.77
Rot. Bonds6

About (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid

(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 114326241) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
PubChem CID114326241
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccnc(CN)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-8(2)11(13(18)19)16-12(17)9-4-5-15-10(6-9)7-14/h4-6,8,11H,3,7,14H2,1-2H3,(H,16,17)(H,18,19)/t8?,11-/m0/s1
InChIKeyVJPYXEQZWSMRSW-LYNSQETBSA-N
XLogP0.77
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid (CID 114326241) is (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)c1ccnc(CN)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is VJPYXEQZWSMRSW-LYNSQETBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-8(2)11(13(18)19)16-12(17)9-4-5-15-10(6-9)7-14/h4-6,8,11H,3,7,14H2,1-2H3,(H,16,17)(H,18,19)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid?
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 114326241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).