3-(cyclopropylamino)-3-oxopropanoic acid

C6H9NO3 — CID 62230230

IUPAC3-(cyclopropylamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NC1CC1
InChIInChI=1S/C6H9NO3/c8-5(3-6(9)10)7-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyQDHCAHFRQPSQIU-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.26
Rot. Bonds3

About 3-(cyclopropylamino)-3-oxopropanoic acid

3-(cyclopropylamino)-3-oxopropanoic acid (PubChem CID 62230230) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-(cyclopropylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-3-oxopropanoic acid
PubChem CID62230230
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-(cyclopropylamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NC1CC1
InChIInChI=1S/C6H9NO3/c8-5(3-6(9)10)7-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyQDHCAHFRQPSQIU-UHFFFAOYSA-N
XLogP-0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(cyclopropylamino)-3-oxopropanoic acid (CID 62230230) is 3-(cyclopropylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-3-oxopropanoic acid is O=C(O)CC(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-3-oxopropanoic acid?
The InChIKey is QDHCAHFRQPSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5(3-6(9)10)7-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 3-(cyclopropylamino)-3-oxopropanoic acid?
3-(cyclopropylamino)-3-oxopropanoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-3-oxopropanoic acid is sourced from PubChem (CID 62230230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).