2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid

C11H17N3O5S — CID 43440575

IUPAC2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid
SMILESNC(CSCC(=O)NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H17N3O5S/c12-7(11(18)19)5-20-6-9(16)13-8(15)4-14-3-1-2-10(14)17/h7H,1-6,12H2,(H,18,19)(H,13,15,16)
InChIKeyXVYVLZHBUJSSLT-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.60
Rot. Bonds7

About 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid

2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid (PubChem CID 43440575) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid
PubChem CID43440575
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid
SMILESNC(CSCC(=O)NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H17N3O5S/c12-7(11(18)19)5-20-6-9(16)13-8(15)4-14-3-1-2-10(14)17/h7H,1-6,12H2,(H,18,19)(H,13,15,16)
InChIKeyXVYVLZHBUJSSLT-UHFFFAOYSA-N
XLogP-1.60
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid with MolForge

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Related Compounds

N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79681795
2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105353266
3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105354154
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
3-(2-acetamido-2-oxoethyl)sulfanyl-2-aminopropanoic acid
CID 155907009
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 66260458
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
CID 61172549
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid (CID 43440575) is 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid is NC(CSCC(=O)NC(=O)CN1CCCC1=O)C(=O)O.
What is the InChIKey of 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid?
The InChIKey is XVYVLZHBUJSSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c12-7(11(18)19)5-20-6-9(16)13-8(15)4-14-3-1-2-10(14)17/h7H,1-6,12H2,(H,18,19)(H,13,15,16).
What are the key properties of 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid?
2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid has a molecular weight of 303.34 g/mol, XLogP of -1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43440575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).