(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide

C11H24N2O2S — CID 104908944

IUPAC(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(6-7-15-3)11(14)10(12)5-8-16-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1
InChIKeyCRWBKUCOYWWPLA-SNVBAGLBSA-N
MW248.39 g/mol
LogP0.95
Rot. Bonds8

About (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide (PubChem CID 104908944) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
PubChem CID104908944
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)[C@H](N)CCSC)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-9(2)13(6-7-15-3)11(14)10(12)5-8-16-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1
InChIKeyCRWBKUCOYWWPLA-SNVBAGLBSA-N
XLogP0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 61165462
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide (CID 104908944) is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide is COCCN(C(=O)[C@H](N)CCSC)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The InChIKey is CRWBKUCOYWWPLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)13(6-7-15-3)11(14)10(12)5-8-16-4/h9-10H,5-8,12H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide has a molecular weight of 248.39 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 104908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).