(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide

C13H28N2O2S — CID 104907756

IUPAC(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCOC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C13H28N2O2S/c1-5-11(6-2)15(8-9-17-3)13(16)12(14)7-10-18-4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1
InChIKeyNAEXSELYAOAAJZ-GFCCVEGCSA-N
MW276.45 g/mol
LogP1.73
Rot. Bonds10

About (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide (PubChem CID 104907756) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
PubChem CID104907756
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCOC)C(=O)[C@H](N)CCSC
InChIInChI=1S/C13H28N2O2S/c1-5-11(6-2)15(8-9-17-3)13(16)12(14)7-10-18-4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1
InChIKeyNAEXSELYAOAAJZ-GFCCVEGCSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(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-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
(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-pentan-3-ylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide (CID 104907756) is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide is CCC(CC)N(CCOC)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide?
The InChIKey is NAEXSELYAOAAJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-11(6-2)15(8-9-17-3)13(16)12(14)7-10-18-4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide?
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide has a molecular weight of 276.45 g/mol, XLogP of 1.73, 10 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-pentan-3-ylbutanamide is sourced from PubChem (CID 104907756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).