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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Related Compounds

morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 1150738
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
CID 819622
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565
(1R,2R,4R)-4-benzylsulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 142763383
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
CID 788554
(1R,3S,4R)-3-phenylbicyclo[2.1.0]pentane-1-carboxylic acid
CID 170898169

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).