2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid

C15H21NO2 — CID 65497581

IUPAC2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
SMILESCCN(Cc1ccccc1)CC1(CC(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-2-16(11-13-6-4-3-5-7-13)12-15(8-9-15)10-14(17)18/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyGJOMPPRKBJDZSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds7

About 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid

2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid (PubChem CID 65497581) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
PubChem CID65497581
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
SMILESCCN(Cc1ccccc1)CC1(CC(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-2-16(11-13-6-4-3-5-7-13)12-15(8-9-15)10-14(17)18/h3-7H,2,8-12H2,1H3,(H,17,18)
InChIKeyGJOMPPRKBJDZSE-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497379
N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
CID 65001960
ethyl 2-[1-[[benzyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetate
CID 135289845
N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
CID 62263266
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
benzyl(diethylamino)carbamic acid
CID 151208829
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
benzyl (2R,3S)-2-[[benzyl(ethyl)amino]methyl]-2,3-dimethylazetidine-1-carboxylate
CID 134504610
3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine
CID 64893233
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid (CID 65497581) is 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid is CCN(Cc1ccccc1)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid?
The InChIKey is GJOMPPRKBJDZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-16(11-13-6-4-3-5-7-13)12-15(8-9-15)10-14(17)18/h3-7H,2,8-12H2,1H3,(H,17,18).
What are the key properties of 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid?
2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65497581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).