(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide

C8H18N2O2S — CID 96904293

IUPAC(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2S/c1-6(11)5-10-8(12)7(9)3-4-13-2/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyGGNDUBJKWHQHEC-NKWVEPMBSA-N
MW206.31 g/mol
LogP-0.44
Rot. Bonds6

About (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide (PubChem CID 96904293) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
PubChem CID96904293
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC[C@H](C)O
InChIInChI=1S/C8H18N2O2S/c1-6(11)5-10-8(12)7(9)3-4-13-2/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6-,7+/m0/s1
InChIKeyGGNDUBJKWHQHEC-NKWVEPMBSA-N
XLogP-0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119323572
(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
(3S)-3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-5-methylhexanoic acid
CID 65494329
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide (CID 96904293) is (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC[C@H](C)O.
What is the InChIKey of (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide?
The InChIKey is GGNDUBJKWHQHEC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(11)5-10-8(12)7(9)3-4-13-2/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide has a molecular weight of 206.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 96904293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).