(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide

C11H24N2O2S — CID 106349776

IUPAC(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)10(4-6-14)13-11(15)9(12)5-7-16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m1/s1
InChIKeyVMAYMANXJZMRDN-YHMJZVADSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds8

About (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide (PubChem CID 106349776) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
PubChem CID106349776
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)10(4-6-14)13-11(15)9(12)5-7-16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m1/s1
InChIKeyVMAYMANXJZMRDN-YHMJZVADSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600
(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107824859
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
(2R)-2-amino-4-methylsulfanyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 104909088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide (CID 106349776) is (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC(CCO)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide?
The InChIKey is VMAYMANXJZMRDN-YHMJZVADSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)10(4-6-14)13-11(15)9(12)5-7-16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 106349776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).