(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

C10H23ClN2O2S — CID 119313160

IUPAC(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCOCCC(C)NC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-8(4-6-14-2)12-10(13)9(11)5-7-15-3;/h8-9H,4-7,11H2,1-3H3,(H,12,13);1H/t8?,9-;/m0./s1
InChIKeyRLDQOZIBPPVUGU-MTFPJWTKSA-N
MW270.83 g/mol
LogP1.03
Rot. Bonds8

About (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119313160) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119313160
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCOCCC(C)NC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-8(4-6-14-2)12-10(13)9(11)5-7-15-3;/h8-9H,4-7,11H2,1-3H3,(H,12,13);1H/t8?,9-;/m0./s1
InChIKeyRLDQOZIBPPVUGU-MTFPJWTKSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.03
H-Bond Donors ≤ 52
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-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(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-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
(2R)-2-[(2-amino-3-methoxypropanoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909277
2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
CID 62475778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (CID 119313160) is (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is COCCC(C)NC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is RLDQOZIBPPVUGU-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-8(4-6-14-2)12-10(13)9(11)5-7-15-3;/h8-9H,4-7,11H2,1-3H3,(H,12,13);1H/t8?,9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119313160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).