1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C13H16N2O4 — CID 107736885

IUPAC1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-15(9-2-4-10(16)5-3-9)12(19)14-8-13(6-7-13)11(17)18/h2-5,16H,6-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyADQJLKKHLOJIRB-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.40
Rot. Bonds4

About 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 107736885) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID107736885
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CC1)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-15(9-2-4-10(16)5-3-9)12(19)14-8-13(6-7-13)11(17)18/h2-5,16H,6-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyADQJLKKHLOJIRB-UHFFFAOYSA-N
XLogP1.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115440277
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CID 115436939
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451347
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450629
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070

Frequently Asked Questions

What is the IUPAC name of 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 107736885) is 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CN(C(=O)NCC1(C(=O)O)CC1)c1ccc(O)cc1.
What is the InChIKey of 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ADQJLKKHLOJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15(9-2-4-10(16)5-3-9)12(19)14-8-13(6-7-13)11(17)18/h2-5,16H,6-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107736885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).