ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate

C17H23ClN2O2 — CID 125435443

IUPACethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H23ClN2O2/c1-2-22-16(21)20-10-7-15(11-20)19-12-17(8-9-17)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeySRKHLAZHXFLMGV-OAHLLOKOSA-N
MW322.84 g/mol
LogP3.19
Rot. Bonds5

About ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate

ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate (PubChem CID 125435443) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate
PubChem CID125435443
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Nameethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H23ClN2O2/c1-2-22-16(21)20-10-7-15(11-20)19-12-17(8-9-17)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1
InChIKeySRKHLAZHXFLMGV-OAHLLOKOSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2846949
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ethyl 3-[(4-chlorophenyl)methyl-ethylamino]pyrrolidine-1-carboxylate
CID 66758743
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CID 31542176
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CID 103802384
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
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2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
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CID 142212446
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CID 43010715

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate (CID 125435443) is ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate is CCOC(=O)N1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate?
The InChIKey is SRKHLAZHXFLMGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-22-16(21)20-10-7-15(11-20)19-12-17(8-9-17)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate?
ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate has a molecular weight of 322.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 125435443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).