(E)-4-(1-cyclopentylethylamino)but-2-enoic acid

C11H19NO2 — CID 103251920

IUPAC(E)-4-(1-cyclopentylethylamino)but-2-enoic acid
SMILESCC(NC/C=C/C(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-9(10-5-2-3-6-10)12-8-4-7-11(13)14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,13,14)/b7-4+
InChIKeyIMSGAQFNLZQMTH-QPJJXVBHSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds5

About (E)-4-(1-cyclopentylethylamino)but-2-enoic acid

(E)-4-(1-cyclopentylethylamino)but-2-enoic acid (PubChem CID 103251920) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-4-(1-cyclopentylethylamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(1-cyclopentylethylamino)but-2-enoic acid
PubChem CID103251920
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-4-(1-cyclopentylethylamino)but-2-enoic acid
SMILESCC(NC/C=C/C(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-9(10-5-2-3-6-10)12-8-4-7-11(13)14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,13,14)/b7-4+
InChIKeyIMSGAQFNLZQMTH-QPJJXVBHSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.80
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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Related Compounds

(E)-4-[[(1R)-1-cycloheptylethyl]amino]but-2-enoic acid
CID 103257919
(E)-3-[[(1S)-1-cyclohexylethyl]amino]prop-2-enoic acid
CID 103257529
(E)-4-chloro-N-[(1S)-1-cycloheptylethyl]but-2-en-1-amine
CID 81430127
4-(1-cyclohexylethylamino)-2-ethylbut-2-enoic acid
CID 103249952
(E)-4-(cycloheptylamino)but-2-enoic acid
CID 103237236
methyl 4-[[(1R)-1-cyclopentylethyl]amino]-2-methylbut-2-enoate
CID 103260025
4-(1-cyclohexylethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76943271
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
CID 122128505
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-cyclopentylethylamino)but-2-enoic acid?
The IUPAC name of (E)-4-(1-cyclopentylethylamino)but-2-enoic acid (CID 103251920) is (E)-4-(1-cyclopentylethylamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(1-cyclopentylethylamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(1-cyclopentylethylamino)but-2-enoic acid is CC(NC/C=C/C(=O)O)C1CCCC1.
What is the InChIKey of (E)-4-(1-cyclopentylethylamino)but-2-enoic acid?
The InChIKey is IMSGAQFNLZQMTH-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10-5-2-3-6-10)12-8-4-7-11(13)14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,13,14)/b7-4+.
What are the key properties of (E)-4-(1-cyclopentylethylamino)but-2-enoic acid?
(E)-4-(1-cyclopentylethylamino)but-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-cyclopentylethylamino)but-2-enoic acid is sourced from PubChem (CID 103251920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).