1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H15NO3 — CID 115449471

IUPAC1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H15NO3/c15-11(8-10-4-2-1-3-5-10)14-9-13(6-7-13)12(16)17/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyAQSKDIWMTOBBTP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds5

About 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449471) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449471
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H15NO3/c15-11(8-10-4-2-1-3-5-10)14-9-13(6-7-13)12(16)17/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyAQSKDIWMTOBBTP-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
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-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449471) is 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(Cc1ccccc1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is AQSKDIWMTOBBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11(8-10-4-2-1-3-5-10)14-9-13(6-7-13)12(16)17/h1-5H,6-9H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).