4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid

C8H13NO3 — CID 58580622

IUPAC4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid
SMILESCC1(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-8(4-5-8)9-6(10)2-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyKAWMGFKHLLDSQB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds4

About 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid

4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid (PubChem CID 58580622) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid
PubChem CID58580622
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid
SMILESCC1(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-8(4-5-8)9-6(10)2-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyKAWMGFKHLLDSQB-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid (CID 58580622) is 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid is CC1(NC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid?
The InChIKey is KAWMGFKHLLDSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(4-5-8)9-6(10)2-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid?
4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 58580622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).