(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide

C11H24N2O2S — CID 104908600

IUPAC(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCOCC(NC(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)10(7-15-3)13-11(14)9(12)5-6-16-4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyUGNZZJJDWLCAQV-YHMJZVADSA-N
MW248.39 g/mol
LogP0.85
Rot. Bonds8

About (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 104908600) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID104908600
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCOCC(NC(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)10(7-15-3)13-11(14)9(12)5-6-16-4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyUGNZZJJDWLCAQV-YHMJZVADSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 81101222
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
CID 106349776
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2R)-2-[(2-amino-3-methoxypropanoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909277
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxypentanamide
CID 81100884
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid
CID 39260809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide (CID 104908600) is (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide is COCC(NC(=O)[C@H](N)CCSC)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is UGNZZJJDWLCAQV-YHMJZVADSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)10(7-15-3)13-11(14)9(12)5-6-16-4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 248.39 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).