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

C10H17NO3 — CID 62683988

IUPAC2-[pent-4-enoyl(propyl)amino]acetic acid
SMILESC=CCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3H,1,4-8H2,2H3,(H,13,14)
InChIKeyJJPMQPPOUMLZNL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.28
Rot. Bonds7

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

2-[pent-4-enoyl(propyl)amino]acetic acid (PubChem CID 62683988) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[pent-4-enoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pent-4-enoyl(propyl)amino]acetic acid
PubChem CID62683988
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[pent-4-enoyl(propyl)amino]acetic acid
SMILESC=CCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C10H17NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3H,1,4-8H2,2H3,(H,13,14)
InChIKeyJJPMQPPOUMLZNL-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.28
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-[pent-4-enoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[pent-4-enoyl(propyl)amino]acetic acid (CID 62683988) is 2-[pent-4-enoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[pent-4-enoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[pent-4-enoyl(propyl)amino]acetic acid is C=CCCC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[pent-4-enoyl(propyl)amino]acetic acid?
The InChIKey is JJPMQPPOUMLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 2-[pent-4-enoyl(propyl)amino]acetic acid?
2-[pent-4-enoyl(propyl)amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pent-4-enoyl(propyl)amino]acetic acid is sourced from PubChem (CID 62683988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).