(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

C5H7N2O3- — CID 22823002

IUPAC(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)[O-])NC1=O
InChIInChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h3H,2H2,1H3,(H,6,10)(H,8,9)/p-1/t3-/m0/s1
InChIKeyAEDVCQIVTIIFMO-VKHMYHEASA-M
MW143.12 g/mol
LogP-2.24
Rot. Bonds1

About (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 22823002) has the molecular formula C5H7N2O3- and a molecular weight of 143.12 g/mol. Its IUPAC name is (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Name(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID22823002
Molecular FormulaC5H7N2O3-
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)[O-])NC1=O
InChIInChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h3H,2H2,1H3,(H,6,10)(H,8,9)/p-1/t3-/m0/s1
InChIKeyAEDVCQIVTIIFMO-VKHMYHEASA-M
XLogP-2.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxoazetidine-2-carboxylate
CID 22451625
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
(4S)-N,1-dimethyl-2-oxo-N-[(4-phenoxyphenyl)methyl]imidazolidine-4-carboxamide
CID 95862292
ethyl 4-methyl-5,6-dioxopiperazine-2-carboxylate
CID 119053580
barium(2+);bis((2S)-5-oxopyrrolidine-2-carboxylate)
CID 14559050
potassium 5-oxopyrrolidine-2-carboxylate
CID 23673462
strontium bis(5-oxopyrrolidine-2-carboxylate)
CID 14559047
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
CID 105475250
1-methyl-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70763389

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate (CID 22823002) is (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate is CN1C[C@@H](C(=O)[O-])NC1=O.
What is the InChIKey of (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is AEDVCQIVTIIFMO-VKHMYHEASA-M. The full InChI is InChI=1S/C5H8N2O3/c1-7-2-3(4(8)9)6-5(7)10/h3H,2H2,1H3,(H,6,10)(H,8,9)/p-1/t3-/m0/s1.
What are the key properties of (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 143.12 g/mol, XLogP of -2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 22823002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).