(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide

C10H22N2OS — CID 79013022

IUPAC(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCSCC(C)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H22N2OS/c1-7(2)9(11)10(13)12-5-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyVZNFFPLOSOZOIZ-YGPZHTELSA-N
MW218.37 g/mol
LogP1.09
Rot. Bonds6

About (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide

(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide (PubChem CID 79013022) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
PubChem CID79013022
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCSCC(C)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H22N2OS/c1-7(2)9(11)10(13)12-5-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyVZNFFPLOSOZOIZ-YGPZHTELSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
ethyl 3,3-dimethyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]butanoate
CID 116538089
(2S)-2-amino-3-methyl-N-[2-(1-methylsulfanylpropan-2-ylamino)-2-oxoethyl]butanamide
CID 103885028
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide (CID 79013022) is (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide is CSCC(C)CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The InChIKey is VZNFFPLOSOZOIZ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-7(2)9(11)10(13)12-5-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 79013022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).