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

C11H20N2O5S — CID 61203915

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-3-4-9(10(14)15)12-11(16)13(2)8-5-6-19(17,18)7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIBGHLNPMOGZKHK-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.07
Rot. Bonds5

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

2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid (PubChem CID 61203915) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid
PubChem CID61203915
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-3-4-9(10(14)15)12-11(16)13(2)8-5-6-19(17,18)7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIBGHLNPMOGZKHK-UHFFFAOYSA-N
XLogP0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 61228929
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61205415
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
3,3-di(cyclobutyl)-2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]propanoic acid
CID 136541759
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
CID 107566610
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid (CID 61203915) is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is IBGHLNPMOGZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-3-4-9(10(14)15)12-11(16)13(2)8-5-6-19(17,18)7-8/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid?
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 292.36 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61203915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).