2-[2-(prop-2-enoylamino)ethyl]pentanoic acid

C10H17NO3 — CID 87771270

IUPAC2-[2-(prop-2-enoylamino)ethyl]pentanoic acid
SMILESC=CC(=O)NCCC(CCC)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-5-8(10(13)14)6-7-11-9(12)4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyGUWAIUVIXVOLQM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.18
Rot. Bonds7

About 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid

2-[2-(prop-2-enoylamino)ethyl]pentanoic acid (PubChem CID 87771270) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(prop-2-enoylamino)ethyl]pentanoic acid
PubChem CID87771270
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[2-(prop-2-enoylamino)ethyl]pentanoic acid
SMILESC=CC(=O)NCCC(CCC)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-5-8(10(13)14)6-7-11-9(12)4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyGUWAIUVIXVOLQM-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid?
The IUPAC name of 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid (CID 87771270) is 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid.
What is the SMILES notation for 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid?
The canonical SMILES for 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid is C=CC(=O)NCCC(CCC)C(=O)O.
What is the InChIKey of 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid?
The InChIKey is GUWAIUVIXVOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-8(10(13)14)6-7-11-9(12)4-2/h4,8H,2-3,5-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid?
2-[2-(prop-2-enoylamino)ethyl]pentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-enoylamino)ethyl]pentanoic acid is sourced from PubChem (CID 87771270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).