1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid

C19H23NO4 — CID 163448109

IUPAC1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(C1CC1C1(C(=O)O)CC(c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C19H23NO4/c21-17(20-6-8-24-9-7-20)15-10-16(15)19(18(22)23)11-14(12-19)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,22,23)
InChIKeyBEGAHCHZHQOIBQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid

1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid (PubChem CID 163448109) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid
PubChem CID163448109
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(C1CC1C1(C(=O)O)CC(c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C19H23NO4/c21-17(20-6-8-24-9-7-20)15-10-16(15)19(18(22)23)11-14(12-19)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,22,23)
InChIKeyBEGAHCHZHQOIBQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid (CID 163448109) is 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid is O=C(C1CC1C1(C(=O)O)CC(c2ccccc2)C1)N1CCOCC1.
What is the InChIKey of 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid?
The InChIKey is BEGAHCHZHQOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(20-6-8-24-9-7-20)15-10-16(15)19(18(22)23)11-14(12-19)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,22,23).
What are the key properties of 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid?
1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 163448109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).