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

C8H14N2O5S — CID 43649063

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14N2O5S/c1-10(8(13)9-4-7(11)12)6-2-3-16(14,15)5-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyGZABGQZJDVDNCF-UHFFFAOYSA-N
MW250.28 g/mol
LogP-1.10
Rot. Bonds3

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

2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid (PubChem CID 43649063) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
PubChem CID43649063
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14N2O5S/c1-10(8(13)9-4-7(11)12)6-2-3-16(14,15)5-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyGZABGQZJDVDNCF-UHFFFAOYSA-N
XLogP-1.10
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-(2-cyclohexylethyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108888590
5-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 43648968
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61265369
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)-1-methylurea
CID 42885771
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
CID 47412407
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid (CID 43649063) is 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid is CN(C(=O)NCC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is GZABGQZJDVDNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-10(8(13)9-4-7(11)12)6-2-3-16(14,15)5-6/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid?
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 250.28 g/mol, XLogP of -1.10, 3 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]acetic acid is sourced from PubChem (CID 43649063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).