1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H20N2O5 — CID 120549290

IUPAC1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1)N1CCOCC1
InChIInChI=1S/C17H20N2O5/c20-14(19-7-9-24-10-8-19)11-12-1-3-13(4-2-12)18-15(21)17(5-6-17)16(22)23/h1-4H,5-11H2,(H,18,21)(H,22,23)
InChIKeyAQZYZZKXVKQLEC-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.89
Rot. Bonds5

About 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120549290) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120549290
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1)N1CCOCC1
InChIInChI=1S/C17H20N2O5/c20-14(19-7-9-24-10-8-19)11-12-1-3-13(4-2-12)18-15(21)17(5-6-17)16(22)23/h1-4H,5-11H2,(H,18,21)(H,22,23)
InChIKeyAQZYZZKXVKQLEC-UHFFFAOYSA-N
XLogP0.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
3-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclopentane-1-carboxamide
CID 119712465
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056089
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 120549290) is 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1)N1CCOCC1.
What is the InChIKey of 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AQZYZZKXVKQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-14(19-7-9-24-10-8-19)11-12-1-3-13(4-2-12)18-15(21)17(5-6-17)16(22)23/h1-4H,5-11H2,(H,18,21)(H,22,23).
What are the key properties of 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120549290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).