(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide

C10H22N2OS — CID 104908379

IUPAC(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
SMILESCCC(C)CNC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H22N2OS/c1-4-8(2)7-12-10(13)9(11)5-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyLIRVYXNAVWEZFX-YGPZHTELSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds7

About (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide (PubChem CID 104908379) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
PubChem CID104908379
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
SMILESCCC(C)CNC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H22N2OS/c1-4-8(2)7-12-10(13)9(11)5-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyLIRVYXNAVWEZFX-YGPZHTELSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide 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

(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]pentanoic acid
CID 81072542
(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119323572
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(3S)-3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-5-methylhexanoic acid
CID 65494329
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide (CID 104908379) is (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide is CCC(C)CNC(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is LIRVYXNAVWEZFX-YGPZHTELSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-8(2)7-12-10(13)9(11)5-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).