2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide

C7H13N3O3S — CID 91537791

IUPAC2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide
SMILESCC(O)C(=S)NC(=O)CNC(=O)CN
InChIInChI=1S/C7H13N3O3S/c1-4(11)7(14)10-6(13)3-9-5(12)2-8/h4,11H,2-3,8H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyLMGKTVOAHIMGFF-UHFFFAOYSA-N
MW219.27 g/mol
LogP-2.11
Rot. Bonds4

About 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide

2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide (PubChem CID 91537791) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide
PubChem CID91537791
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide
SMILESCC(O)C(=S)NC(=O)CNC(=O)CN
InChIInChI=1S/C7H13N3O3S/c1-4(11)7(14)10-6(13)3-9-5(12)2-8/h4,11H,2-3,8H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyLMGKTVOAHIMGFF-UHFFFAOYSA-N
XLogP-2.11
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 6992871
2-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoylamino]propanoic acid
CID 18487522
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
2-amino-N-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]acetamide
CID 60848128
2-amino-N-[2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoethyl]acetamide
CID 65049070
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide (CID 91537791) is 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide is CC(O)C(=S)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide?
The InChIKey is LMGKTVOAHIMGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-4(11)7(14)10-6(13)3-9-5(12)2-8/h4,11H,2-3,8H2,1H3,(H,9,12)(H,10,13,14).
What are the key properties of 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide has a molecular weight of 219.27 g/mol, XLogP of -2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxypropanethioylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 91537791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).