cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H11NO4 — CID 11877929

IUPACcis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11NO4/c13-7-3-1-2-6(4-7)12-10(14)8-5-9(8)11(15)16/h1-4,8-9,13H,5H2,(H,12,14)(H,15,16)/t8-,9+/m1/s1
InChIKeyLGDPMGQENSRRCF-BDAKNGLRSA-N
MW221.21 g/mol
LogP1.05
Rot. Bonds3

About cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 11877929) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID11877929
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namecis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11NO4/c13-7-3-1-2-6(4-7)12-10(14)8-5-9(8)11(15)16/h1-4,8-9,13H,5H2,(H,12,14)(H,15,16)/t8-,9+/m1/s1
InChIKeyLGDPMGQENSRRCF-BDAKNGLRSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 11877929) is cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(O)c1.
What is the InChIKey of cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LGDPMGQENSRRCF-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H11NO4/c13-7-3-1-2-6(4-7)12-10(14)8-5-9(8)11(15)16/h1-4,8-9,13H,5H2,(H,12,14)(H,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11877929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).