3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid

C15H18ClNO3 — CID 124684391

IUPAC3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-2-17(8-7-14(18)19)15(20)12-9-11(12)10-5-3-4-6-13(10)16/h3-6,11-12H,2,7-9H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyPONXKGFQWACWEW-NWDGAFQWSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds6

About 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid

3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid (PubChem CID 124684391) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
PubChem CID124684391
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-2-17(8-7-14(18)19)15(20)12-9-11(12)10-5-3-4-6-13(10)16/h3-6,11-12H,2,7-9H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyPONXKGFQWACWEW-NWDGAFQWSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346810
4-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 99845719
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 125132269
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
CID 78971411
2-(2-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 55474890
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115909737
(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 124693260

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid (CID 124684391) is 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid?
The InChIKey is PONXKGFQWACWEW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-17(8-7-14(18)19)15(20)12-9-11(12)10-5-3-4-6-13(10)16/h3-6,11-12H,2,7-9H2,1H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid?
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid is sourced from PubChem (CID 124684391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).