(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide

C17H23ClN2O2 — CID 120786660

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c1-11(14-4-2-3-5-15(14)18)20(12-6-7-12)17(21)16-9-8-13(10-19)22-16/h2-5,11-13,16H,6-10,19H2,1H3/t11?,13-,16+/m1/s1
InChIKeyVCPOWMGDPOXEHN-ZYFAKELQSA-N
MW322.84 g/mol
LogP2.90
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide (PubChem CID 120786660) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
PubChem CID120786660
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
SMILESCC(c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c1-11(14-4-2-3-5-15(14)18)20(12-6-7-12)17(21)16-9-8-13(10-19)22-16/h2-5,11-13,16H,6-10,19H2,1H3/t11?,13-,16+/m1/s1
InChIKeyVCPOWMGDPOXEHN-ZYFAKELQSA-N
XLogP2.90
TPSA55.56 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
CID 120787918
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786668
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 78852776
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120792641
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide (CID 120786660) is (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide is CC(c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide?
The InChIKey is VCPOWMGDPOXEHN-ZYFAKELQSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-11(14-4-2-3-5-15(14)18)20(12-6-7-12)17(21)16-9-8-13(10-19)22-16/h2-5,11-13,16H,6-10,19H2,1H3/t11?,13-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide is sourced from PubChem (CID 120786660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).