trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid

C10H14N2O4 — CID 10561198

IUPACtrans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)C1([C@H]2C[C@@H]2C(=O)O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-4(2)10(6-3-5(6)7(13)14)8(15)11-9(16)12-10/h4-6H,3H2,1-2H3,(H,13,14)(H2,11,12,15,16)/t5-,6-,10?/m0/s1
InChIKeyBFTSLHFULVEUMH-XBGLIEATSA-N
MW226.23 g/mol
LogP-0.06
Rot. Bonds3

About trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 10561198) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid
PubChem CID10561198
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nametrans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)C1([C@H]2C[C@@H]2C(=O)O)NC(=O)NC1=O
InChIInChI=1S/C10H14N2O4/c1-4(2)10(6-3-5(6)7(13)14)8(15)11-9(16)12-10/h4-6H,3H2,1-2H3,(H,13,14)(H2,11,12,15,16)/t5-,6-,10?/m0/s1
InChIKeyBFTSLHFULVEUMH-XBGLIEATSA-N
XLogP-0.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid (CID 10561198) is trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid is CC(C)C1([C@H]2C[C@@H]2C(=O)O)NC(=O)NC1=O.
What is the InChIKey of trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BFTSLHFULVEUMH-XBGLIEATSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4(2)10(6-3-5(6)7(13)14)8(15)11-9(16)12-10/h4-6H,3H2,1-2H3,(H,13,14)(H2,11,12,15,16)/t5-,6-,10?/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10561198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).