1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid

C15H20N2O4 — CID 115914152

IUPAC1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCN(CCO)C(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-17(9-10-18)14(21)16-12-5-3-11(4-6-12)15(7-8-15)13(19)20/h3-6,18H,2,7-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyGZQNNUXUIVXYLO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid

1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 115914152) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID115914152
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCCN(CCO)C(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-17(9-10-18)14(21)16-12-5-3-11(4-6-12)15(7-8-15)13(19)20/h3-6,18H,2,7-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyGZQNNUXUIVXYLO-UHFFFAOYSA-N
XLogP1.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid (CID 115914152) is 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid is CCN(CCO)C(=O)Nc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GZQNNUXUIVXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-17(9-10-18)14(21)16-12-5-3-11(4-6-12)15(7-8-15)13(19)20/h3-6,18H,2,7-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115914152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).