(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid

C12H18N2O2 — CID 120964135

IUPAC(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
SMILESCc1cc(N[C@H](CC(C)C)C(=O)O)ccn1
InChIInChI=1S/C12H18N2O2/c1-8(2)6-11(12(15)16)14-10-4-5-13-9(3)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyZOFFLVJKOFUHSF-LLVKDONJSA-N
MW222.29 g/mol
LogP2.30
Rot. Bonds5

About (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid (PubChem CID 120964135) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
PubChem CID120964135
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
SMILESCc1cc(N[C@H](CC(C)C)C(=O)O)ccn1
InChIInChI=1S/C12H18N2O2/c1-8(2)6-11(12(15)16)14-10-4-5-13-9(3)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKeyZOFFLVJKOFUHSF-LLVKDONJSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic 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-(3,4-dimethylanilino)-4-methylpentanoic acid
CID 82129445
(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964592
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2R)-2-[(2-cyano-6-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122049271
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
2-[(3-chloro-2-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122062515
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
CID 114985818
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid (CID 120964135) is (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid is Cc1cc(N[C@H](CC(C)C)C(=O)O)ccn1.
What is the InChIKey of (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The InChIKey is ZOFFLVJKOFUHSF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)6-11(12(15)16)14-10-4-5-13-9(3)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,13,14)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 120964135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).