2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid

C16H21ClN2O3 — CID 119346810

IUPAC2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-18(2)7-8-19(10-15(20)21)16(22)13-9-12(13)11-5-3-4-6-14(11)17/h3-6,12-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyGIJWFGZKDSEIPX-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.92
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid

2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 119346810) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID119346810
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-18(2)7-8-19(10-15(20)21)16(22)13-9-12(13)11-5-3-4-6-14(11)17/h3-6,12-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyGIJWFGZKDSEIPX-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
4-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 99845719
2-[[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124685331
(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 124693260
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
2-(2-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 55474890
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 125132269
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119188956

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid (CID 119346810) is 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is GIJWFGZKDSEIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-18(2)7-8-19(10-15(20)21)16(22)13-9-12(13)11-5-3-4-6-14(11)17/h3-6,12-13H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 324.81 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 119346810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).