2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid

C11H19NO2 — CID 89095680

IUPAC2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid
SMILESC=CCCCC1(C(C)N)CC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-11(8(2)12)7-9(11)10(13)14/h3,8-9H,1,4-7,12H2,2H3,(H,13,14)
InChIKeyARUNYLYIHGPNAD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds6

About 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid

2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid (PubChem CID 89095680) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid
PubChem CID89095680
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid
SMILESC=CCCCC1(C(C)N)CC1C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-11(8(2)12)7-9(11)10(13)14/h3,8-9H,1,4-7,12H2,2H3,(H,13,14)
InChIKeyARUNYLYIHGPNAD-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429426
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
(2R)-2-aminohept-6-enoic acid
CID 71352792
3-amino-2-methylnon-8-en-4-one
CID 116549029
1-pent-4-enylcyclopropane-1-carbaldehyde
CID 126997266
10-aminoundec-1-en-6-one
CID 116610182
[(2S,3S)-3-methyl-3-pent-4-enyloxiran-2-yl]methyl acetate
CID 57205835
2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
CID 106664392
(2R)-2-methylnon-8-enoic acid
CID 129385535
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
1,1-dioxo-3-pent-4-enylthiolane-3-carboxylic acid
CID 115337871
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid (CID 89095680) is 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid is C=CCCCC1(C(C)N)CC1C(=O)O.
What is the InChIKey of 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid?
The InChIKey is ARUNYLYIHGPNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-6-11(8(2)12)7-9(11)10(13)14/h3,8-9H,1,4-7,12H2,2H3,(H,13,14).
What are the key properties of 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid?
2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-2-pent-4-enylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 89095680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).