(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide

C13H21N3O3S — CID 61179548

IUPAC(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide
SMILESCOCCn1cc(NC(=O)[C@@H](N)CCSC)ccc1=O
InChIInChI=1S/C13H21N3O3S/c1-19-7-6-16-9-10(3-4-12(16)17)15-13(18)11(14)5-8-20-2/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyRGJMCSJNKGYUKI-NSHDSACASA-N
MW299.40 g/mol
LogP0.51
Rot. Bonds8

About (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide (PubChem CID 61179548) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide
PubChem CID61179548
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide
SMILESCOCCn1cc(NC(=O)[C@@H](N)CCSC)ccc1=O
InChIInChI=1S/C13H21N3O3S/c1-19-7-6-16-9-10(3-4-12(16)17)15-13(18)11(14)5-8-20-2/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,18)/t11-/m0/s1
InChIKeyRGJMCSJNKGYUKI-NSHDSACASA-N
XLogP0.51
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
2-amino-4-methoxy-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 62473033
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61180699
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119298483
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
2,2,3,3-tetrafluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 103776757
(2S)-2-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-methylsulfanylbutanamide
CID 61148066
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide (CID 61179548) is (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide is COCCn1cc(NC(=O)[C@@H](N)CCSC)ccc1=O.
What is the InChIKey of (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide?
The InChIKey is RGJMCSJNKGYUKI-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-7-6-16-9-10(3-4-12(16)17)15-13(18)11(14)5-8-20-2/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 61179548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).