(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide

C10H22N2O2S — CID 104909037

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)14-6-5-12-10(13)9(11)4-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyIBVUBNZAPCDAOV-SECBINFHSA-N
MW234.36 g/mol
LogP0.61
Rot. Bonds8

About (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 104909037) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID104909037
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)14-6-5-12-10(13)9(11)4-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyIBVUBNZAPCDAOV-SECBINFHSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]acetic acid
CID 104908717
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-methylsulfanylbutanamide
CID 106236591
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2S)-2-amino-N-(4-ethoxybutyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119288799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide (CID 104909037) is (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide is CSCC[C@@H](N)C(=O)NCCOC(C)C.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is IBVUBNZAPCDAOV-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)14-6-5-12-10(13)9(11)4-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 234.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 104909037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).