2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H17NO5 — CID 60791430

IUPAC2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C14H17NO5/c1-3-20-11-5-4-8(6-12(11)19-2)15-13(16)9-7-10(9)14(17)18/h4-6,9-10H,3,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDJCSXGXIMVIESS-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.75
Rot. Bonds6

About 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791430) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791430
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C14H17NO5/c1-3-20-11-5-4-8(6-12(11)19-2)15-13(16)9-7-10(9)14(17)18/h4-6,9-10H,3,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDJCSXGXIMVIESS-UHFFFAOYSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
2-amino-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119688371
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60791430) is 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCOc1ccc(NC(=O)C2CC2C(=O)O)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DJCSXGXIMVIESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-20-11-5-4-8(6-12(11)19-2)15-13(16)9-7-10(9)14(17)18/h4-6,9-10H,3,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).