2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid

C11H20N2O5S — CID 43631799

IUPAC2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-2-3-9(11(15)16)12-6-10(14)13-8-4-5-19(17,18)7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFJFASNCGYSJCLV-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.87
Rot. Bonds7

About 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid

2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631799) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
PubChem CID43631799
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-2-3-9(11(15)16)12-6-10(14)13-8-4-5-19(17,18)7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFJFASNCGYSJCLV-UHFFFAOYSA-N
XLogP-0.87
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]butanoic acid
CID 61181320
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838279
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
CID 164909794
2-[(1,1-dioxothiolan-3-yl)amino]-3-hydroxypropanoic acid
CID 4263871
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
(2R)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 94934408

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid (CID 43631799) is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)NC1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid?
The InChIKey is FJFASNCGYSJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-2-3-9(11(15)16)12-6-10(14)13-8-4-5-19(17,18)7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid?
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).