4-(cyclopropanecarbonylamino)butanoic acid

C8H13NO3 — CID 16777251

IUPAC4-(cyclopropanecarbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)C1CC1
InChIInChI=1S/C8H13NO3/c10-7(11)2-1-5-9-8(12)6-3-4-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChIKeyFBQKZCUKSMUAID-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)butanoic acid

4-(cyclopropanecarbonylamino)butanoic acid (PubChem CID 16777251) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)butanoic acid
PubChem CID16777251
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(cyclopropanecarbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)C1CC1
InChIInChI=1S/C8H13NO3/c10-7(11)2-1-5-9-8(12)6-3-4-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChIKeyFBQKZCUKSMUAID-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)butanoic acid?
The IUPAC name of 4-(cyclopropanecarbonylamino)butanoic acid (CID 16777251) is 4-(cyclopropanecarbonylamino)butanoic acid.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)butanoic acid?
The canonical SMILES for 4-(cyclopropanecarbonylamino)butanoic acid is O=C(O)CCCNC(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)butanoic acid?
The InChIKey is FBQKZCUKSMUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)2-1-5-9-8(12)6-3-4-6/h6H,1-5H2,(H,9,12)(H,10,11).
What are the key properties of 4-(cyclopropanecarbonylamino)butanoic acid?
4-(cyclopropanecarbonylamino)butanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)butanoic acid is sourced from PubChem (CID 16777251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).