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

C8H18N2OS — CID 104861437

IUPAC(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C)SC
InChIInChI=1S/C8H18N2OS/c1-4-7(9)8(11)10-5-6(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyAOIKKQVIHWHMRF-COBSHVIPSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds5

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

(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide (PubChem CID 104861437) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
PubChem CID104861437
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C)SC
InChIInChI=1S/C8H18N2OS/c1-4-7(9)8(11)10-5-6(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m1/s1
InChIKeyAOIKKQVIHWHMRF-COBSHVIPSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylsulfanylpropyl)propanamide
CID 104861427
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
CID 119842280
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide (CID 104861437) is (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide is CC[C@@H](N)C(=O)NCC(C)SC.
What is the InChIKey of (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide?
The InChIKey is AOIKKQVIHWHMRF-COBSHVIPSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-4-7(9)8(11)10-5-6(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide?
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide has a molecular weight of 190.31 g/mol, XLogP of 0.59, 5 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-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 104861437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).