2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid

C11H19NO2 — CID 60835424

IUPAC2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
SMILESC/C=C/CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-3-8-12(9-11(13)14)10-6-4-5-7-10/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyNKWNLWFENKWIKY-NSCUHMNNSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds5

About 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid

2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid (PubChem CID 60835424) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
PubChem CID60835424
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
SMILESC/C=C/CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO2/c1-2-3-8-12(9-11(13)14)10-6-4-5-7-10/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyNKWNLWFENKWIKY-NSCUHMNNSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
CID 76882259
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid?
The IUPAC name of 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid (CID 60835424) is 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid is C/C=C/CN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid?
The InChIKey is NKWNLWFENKWIKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-8-12(9-11(13)14)10-6-4-5-7-10/h2-3,10H,4-9H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid?
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid is sourced from PubChem (CID 60835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).