(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide

C10H22N2O3S — CID 107865640

IUPAC(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide
SMILESCCC(CO)(CO)NC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H22N2O3S/c1-3-10(6-13,7-14)12-9(15)8(11)4-5-16-2/h8,13-14H,3-7,11H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyPUQMTTNSLBWWQP-MRVPVSSYSA-N
MW250.36 g/mol
LogP-0.68
Rot. Bonds8

About (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide (PubChem CID 107865640) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide
PubChem CID107865640
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide
SMILESCCC(CO)(CO)NC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H22N2O3S/c1-3-10(6-13,7-14)12-9(15)8(11)4-5-16-2/h8,13-14H,3-7,11H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyPUQMTTNSLBWWQP-MRVPVSSYSA-N
XLogP-0.68
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2R)-2-amino-4-methylsulfanyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 104909088
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide (CID 107865640) is (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide is CCC(CO)(CO)NC(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is PUQMTTNSLBWWQP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-10(6-13,7-14)12-9(15)8(11)4-5-16-2/h8,13-14H,3-7,11H2,1-2H3,(H,12,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 250.36 g/mol, XLogP of -0.68, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 107865640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).