(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid

C12H18N2O2 — CID 120964592

IUPAC(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ccnc(C)c1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-4-8(2)11(12(15)16)14-10-5-6-13-9(3)7-10/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16)/t8-,11-/m0/s1
InChIKeyYLADAUGRSGAMTM-KWQFWETISA-N
MW222.29 g/mol
LogP2.30
Rot. Bonds5

About (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid (PubChem CID 120964592) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
PubChem CID120964592
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ccnc(C)c1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-4-8(2)11(12(15)16)14-10-5-6-13-9(3)7-10/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16)/t8-,11-/m0/s1
InChIKeyYLADAUGRSGAMTM-KWQFWETISA-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

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Related Compounds

(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
(2S,3S)-3-methyl-2-(4-methylsulfonylanilino)pentanoic acid
CID 122050364
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
CID 114985818
(2S,3S)-2-(4-cyanoanilino)-3-methylpentanoic acid
CID 120964660
4-methoxy-3-methyl-2-(3-methylanilino)butanoic acid
CID 116502022
(2S,3S)-2-[(4,6-diethylpyrimidin-2-yl)amino]-3-methylpentanoic acid
CID 122050557
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
3,5-dimethyl-2-(3-methylanilino)hexanoic acid
CID 114200922
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid (CID 120964592) is (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid is CC[C@H](C)[C@H](Nc1ccnc(C)c1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
The InChIKey is YLADAUGRSGAMTM-KWQFWETISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8(2)11(12(15)16)14-10-5-6-13-9(3)7-10/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid?
(2S,3S)-3-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 (2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 120964592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).