(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid

C17H19Cl2NO3 — CID 68795430

IUPAC(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
SMILESCC1(C[C@H](NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)C(=O)O)CC1
InChIInChI=1S/C17H19Cl2NO3/c1-16(4-5-16)9-13(14(21)22)20-15(23)17(6-7-17)11-3-2-10(18)8-12(11)19/h2-3,8,13H,4-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyUJPOYIADQNOIKL-ZDUSSCGKSA-N
MW356.25 g/mol
LogP3.78
Rot. Bonds6

About (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid

(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid (PubChem CID 68795430) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
PubChem CID68795430
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
SMILESCC1(C[C@H](NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)C(=O)O)CC1
InChIInChI=1S/C17H19Cl2NO3/c1-16(4-5-16)9-13(14(21)22)20-15(23)17(6-7-17)11-3-2-10(18)8-12(11)19/h2-3,8,13H,4-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyUJPOYIADQNOIKL-ZDUSSCGKSA-N
XLogP3.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[3-(2,4-dichlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 75229526
1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865941
1-(2,4-dichlorophenyl)-N-[(2S)-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865944
N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 75229212
1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
CID 75229165
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865936
N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 76554619
N-[(2S)-1-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 46892214
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350
(2S)-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152848
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid?
The IUPAC name of (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid (CID 68795430) is (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid.
What is the SMILES notation for (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid?
The canonical SMILES for (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid is CC1(C[C@H](NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid?
The InChIKey is UJPOYIADQNOIKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-16(4-5-16)9-13(14(21)22)20-15(23)17(6-7-17)11-3-2-10(18)8-12(11)19/h2-3,8,13H,4-7,9H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid?
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid has a molecular weight of 356.25 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid is sourced from PubChem (CID 68795430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).