cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C14H17NO4 — CID 124674779

IUPACcis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-19-12-5-3-2-4-9(12)6-7-15-13(16)10-8-11(10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyCIABMCSBMHBJRJ-WDEREUQCSA-N
MW263.29 g/mol
LogP1.07
Rot. Bonds6

About cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124674779) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124674779
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-19-12-5-3-2-4-9(12)6-7-15-13(16)10-8-11(10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1
InChIKeyCIABMCSBMHBJRJ-WDEREUQCSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137836
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
2-N-[2-(2-methoxyphenyl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109137819
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137840
(1R,2S,3R,4S)-3-[2-(2-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51426046
(1R,2S,3S,4S)-3-[2-(2-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51426048
1-N-(3-chloro-4-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137853
1-N-(3-chloro-2-methylphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137850
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 124674779) is cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is COc1ccccc1CCNC(=O)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CIABMCSBMHBJRJ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-5-3-2-4-9(12)6-7-15-13(16)10-8-11(10)14(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124674779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).