(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide

C11H22N2O2S — CID 104907782

IUPAC(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCN(C(=O)[C@H](N)CCSC)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-15-7-6-13(9-3-4-9)11(14)10(12)5-8-16-2/h9-10H,3-8,12H2,1-2H3/t10-/m1/s1
InChIKeyNFRCZKGCNYMBCO-SNVBAGLBSA-N
MW246.38 g/mol
LogP0.70
Rot. Bonds8

About (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (PubChem CID 104907782) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
PubChem CID104907782
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCN(C(=O)[C@H](N)CCSC)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-15-7-6-13(9-3-4-9)11(14)10(12)5-8-16-2/h9-10H,3-8,12H2,1-2H3/t10-/m1/s1
InChIKeyNFRCZKGCNYMBCO-SNVBAGLBSA-N
XLogP0.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244
2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
CID 61164338
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 61165462
2-[(2-amino-4-methoxybutanoyl)-cyclopropylamino]acetic acid
CID 62473237
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
CID 104906791
6-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-methylheptanamide
CID 65292086
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (CID 104907782) is (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is COCCN(C(=O)[C@H](N)CCSC)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The InChIKey is NFRCZKGCNYMBCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-15-7-6-13(9-3-4-9)11(14)10(12)5-8-16-2/h9-10H,3-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide has a molecular weight of 246.38 g/mol, XLogP of 0.70, 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-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).