1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid

C16H21NO3 — CID 117440559

IUPAC1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CCN3CCOCC3)cc2)CC1
InChIInChI=1S/C16H21NO3/c18-15(19)16(6-7-16)14-3-1-13(2-4-14)5-8-17-9-11-20-12-10-17/h1-4H,5-12H2,(H,18,19)
InChIKeyDIKJHINTUIJVFO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.68
Rot. Bonds5

About 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117440559) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117440559
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(CCN3CCOCC3)cc2)CC1
InChIInChI=1S/C16H21NO3/c18-15(19)16(6-7-16)14-3-1-13(2-4-14)5-8-17-9-11-20-12-10-17/h1-4H,5-12H2,(H,18,19)
InChIKeyDIKJHINTUIJVFO-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
1-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]cyclopropan-1-ol
CID 117408221
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]benzoic acid
CID 79694512
guanidine;4-[4-[3-(1,4-oxazepan-4-yl)propoxy]phenyl]oxane-4-carboxylic acid
CID 68578687
1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
CID 117416870
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid (CID 117440559) is 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(CCN3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is DIKJHINTUIJVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(19)16(6-7-16)14-3-1-13(2-4-14)5-8-17-9-11-20-12-10-17/h1-4H,5-12H2,(H,18,19).
What are the key properties of 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117440559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).