4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid

C9H14N2O4 — CID 62408428

IUPAC4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid
SMILESCC1CC1NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H14N2O4/c1-5-4-6(5)10-9(15)11-7(12)2-3-8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyFXCSTDYJWAABDC-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.09
Rot. Bonds4

About 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid

4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 62408428) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID62408428
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid
SMILESCC1CC1NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H14N2O4/c1-5-4-6(5)10-9(15)11-7(12)2-3-8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyFXCSTDYJWAABDC-UHFFFAOYSA-N
XLogP0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid (CID 62408428) is 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid is CC1CC1NC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is FXCSTDYJWAABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5-4-6(5)10-9(15)11-7(12)2-3-8(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid?
4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 62408428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).