1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

C15H20N2O3 — CID 145495359

IUPAC1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCNCCc1cccc(C(=O)NCC2(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-16-8-5-11-3-2-4-12(9-11)13(18)17-10-15(6-7-15)14(19)20/h2-4,9,16H,5-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLXCHTDFGIBCFCR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.04
Rot. Bonds7

About 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 145495359) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID145495359
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCNCCc1cccc(C(=O)NCC2(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-16-8-5-11-3-2-4-12(9-11)13(18)17-10-15(6-7-15)14(19)20/h2-4,9,16H,5-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLXCHTDFGIBCFCR-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115438410
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1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
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1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
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CID 67214540
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
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1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 145495359) is 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is CNCCc1cccc(C(=O)NCC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LXCHTDFGIBCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-8-5-11-3-2-4-12(9-11)13(18)17-10-15(6-7-15)14(19)20/h2-4,9,16H,5-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-[2-(methylamino)ethyl]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 145495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).