2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid

C16H19NO4 — CID 129408081

IUPAC2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
SMILESCCOc1ccccc1/C=C\C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H19NO4/c1-2-21-14-6-4-3-5-12(14)7-10-15(18)17(11-16(19)20)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,19,20)/b10-7-
InChIKeyLQTAIWQWHVEFMU-YFHOEESVSA-N
MW289.33 g/mol
LogP2.17
Rot. Bonds7

About 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid

2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid (PubChem CID 129408081) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
PubChem CID129408081
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
SMILESCCOc1ccccc1/C=C\C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H19NO4/c1-2-21-14-6-4-3-5-12(14)7-10-15(18)17(11-16(19)20)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,19,20)/b10-7-
InChIKeyLQTAIWQWHVEFMU-YFHOEESVSA-N
XLogP2.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
bicyclo[2.2.1]hept-2-ene;3-(2-ethoxyphenyl)prop-2-enoic acid
CID 68745191
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82177024
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid (CID 129408081) is 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid is CCOc1ccccc1/C=C\C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid?
The InChIKey is LQTAIWQWHVEFMU-YFHOEESVSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-21-14-6-4-3-5-12(14)7-10-15(18)17(11-16(19)20)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,19,20)/b10-7-.
What are the key properties of 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid?
2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 129408081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).