3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid

C11H17NO3 — CID 62683643

IUPAC3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid
SMILESC=CCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12(9-5-6-9)8-7-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyUSAJBBJVZLQIBZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds7

About 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid

3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid (PubChem CID 62683643) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid
PubChem CID62683643
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid
SMILESC=CCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12(9-5-6-9)8-7-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyUSAJBBJVZLQIBZ-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid (CID 62683643) is 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid is C=CCCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid?
The InChIKey is USAJBBJVZLQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-10(13)12(9-5-6-9)8-7-11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid?
3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pent-4-enoyl)amino]propanoic acid is sourced from PubChem (CID 62683643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).