2-[butyl(pent-4-enoyl)amino]acetic acid

C11H19NO3 — CID 135300579

IUPAC2-[butyl(pent-4-enoyl)amino]acetic acid
SMILESC=CCCC(=O)N(CCCC)CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-5-7-10(13)12(8-6-4-2)9-11(14)15/h3H,1,4-9H2,2H3,(H,14,15)
InChIKeyJBRUSHFJNAYVLQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.67
Rot. Bonds8

About 2-[butyl(pent-4-enoyl)amino]acetic acid

2-[butyl(pent-4-enoyl)amino]acetic acid (PubChem CID 135300579) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[butyl(pent-4-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butyl(pent-4-enoyl)amino]acetic acid
PubChem CID135300579
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[butyl(pent-4-enoyl)amino]acetic acid
SMILESC=CCCC(=O)N(CCCC)CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-5-7-10(13)12(8-6-4-2)9-11(14)15/h3H,1,4-9H2,2H3,(H,14,15)
InChIKeyJBRUSHFJNAYVLQ-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.67
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 2-[butyl(pent-4-enoyl)amino]acetic acid?
The IUPAC name of 2-[butyl(pent-4-enoyl)amino]acetic acid (CID 135300579) is 2-[butyl(pent-4-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[butyl(pent-4-enoyl)amino]acetic acid?
The canonical SMILES for 2-[butyl(pent-4-enoyl)amino]acetic acid is C=CCCC(=O)N(CCCC)CC(=O)O.
What is the InChIKey of 2-[butyl(pent-4-enoyl)amino]acetic acid?
The InChIKey is JBRUSHFJNAYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-7-10(13)12(8-6-4-2)9-11(14)15/h3H,1,4-9H2,2H3,(H,14,15).
What are the key properties of 2-[butyl(pent-4-enoyl)amino]acetic acid?
2-[butyl(pent-4-enoyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pent-4-enoyl)amino]acetic acid is sourced from PubChem (CID 135300579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).