2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide

C11H21N3O4S — CID 134453801

IUPAC2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide
SMILESCC(=O)NC(CCSCCC(=O)NCCO)C(N)=O
InChIInChI=1S/C11H21N3O4S/c1-8(16)14-9(11(12)18)2-6-19-7-3-10(17)13-4-5-15/h9,15H,2-7H2,1H3,(H2,12,18)(H,13,17)(H,14,16)
InChIKeyZGUOYWFDDPYRLZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.40
Rot. Bonds10

About 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide

2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide (PubChem CID 134453801) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide.

Molecular Properties

Compound Name2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide
PubChem CID134453801
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide
SMILESCC(=O)NC(CCSCCC(=O)NCCO)C(N)=O
InChIInChI=1S/C11H21N3O4S/c1-8(16)14-9(11(12)18)2-6-19-7-3-10(17)13-4-5-15/h9,15H,2-7H2,1H3,(H2,12,18)(H,13,17)(H,14,16)
InChIKeyZGUOYWFDDPYRLZ-UHFFFAOYSA-N
XLogP-1.40
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-4-(3,7-dimethyloct-6-enylsulfanyl)butanamide
CID 110180555
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
2-acetamidopentanamide
CID 23273489
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
acetamide;(2R)-2-acetamido-N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
CID 170627588
2-acetamido-6-[3-(2,5-dihydroxypyrrol-1-yl)propanoylamino]hexanamide
CID 123991027
bis(2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide);2-acetamido-4-sulfanylbutanamide;bis(3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propan-1-amine);N-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propyl]prop-2-enamide;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine;N-(2-hydroxyethyl)prop-2-enamide;3-(2-oxopropyl)thiolan-2-one;prop-2-enoyl chloride
CID 160642090
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422
2-acetamido-4-ethylsulfanylbutanoic acid
CID 2724725

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide?
The IUPAC name of 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide (CID 134453801) is 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide.
What is the SMILES notation for 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide?
The canonical SMILES for 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide is CC(=O)NC(CCSCCC(=O)NCCO)C(N)=O.
What is the InChIKey of 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide?
The InChIKey is ZGUOYWFDDPYRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-8(16)14-9(11(12)18)2-6-19-7-3-10(17)13-4-5-15/h9,15H,2-7H2,1H3,(H2,12,18)(H,13,17)(H,14,16).
What are the key properties of 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide?
2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide has a molecular weight of 291.37 g/mol, XLogP of -1.40, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide is sourced from PubChem (CID 134453801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).