2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C16H22N2O3 — CID 60941731

IUPAC2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)Cc1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(4-2)10-11-6-5-7-12(8-11)17-15(19)13-9-14(13)16(20)21/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPGOFWVIZDFQXDN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds7

About 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60941731) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60941731
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)Cc1cccc(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(4-2)10-11-6-5-7-12(8-11)17-15(19)13-9-14(13)16(20)21/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPGOFWVIZDFQXDN-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
CID 66240637
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60941731) is 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CCN(CC)Cc1cccc(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PGOFWVIZDFQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(4-2)10-11-6-5-7-12(8-11)17-15(19)13-9-14(13)16(20)21/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60941731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).