1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C13H15NO4 — CID 115449344

IUPAC1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccc(O)cc1)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H15NO4/c15-10-3-1-9(2-4-10)7-11(16)14-8-13(5-6-13)12(17)18/h1-4,15H,5-8H2,(H,14,16)(H,17,18)
InChIKeyRXOLXHCHGCLRAE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds5

About 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449344) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449344
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccc(O)cc1)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H15NO4/c15-10-3-1-9(2-4-10)7-11(16)14-8-13(5-6-13)12(17)18/h1-4,15H,5-8H2,(H,14,16)(H,17,18)
InChIKeyRXOLXHCHGCLRAE-UHFFFAOYSA-N
XLogP0.92
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 71915475
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450629
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
1-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369467
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449344) is 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(Cc1ccc(O)cc1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RXOLXHCHGCLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-10-3-1-9(2-4-10)7-11(16)14-8-13(5-6-13)12(17)18/h1-4,15H,5-8H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).