(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide

C16H21ClN2O2 — CID 120786668

IUPAC(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)O1
InChIInChI=1S/C16H21ClN2O2/c17-12-3-1-11(2-4-12)10-19(13-5-6-13)16(20)15-8-7-14(9-18)21-15/h1-4,13-15H,5-10,18H2/t14-,15+/m1/s1
InChIKeyKRUILHFRDDXWQI-CABCVRRESA-N
MW308.81 g/mol
LogP2.34
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide (PubChem CID 120786668) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
PubChem CID120786668
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)O1
InChIInChI=1S/C16H21ClN2O2/c17-12-3-1-11(2-4-12)10-19(13-5-6-13)16(20)15-8-7-14(9-18)21-15/h1-4,13-15H,5-10,18H2/t14-,15+/m1/s1
InChIKeyKRUILHFRDDXWQI-CABCVRRESA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786657
(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
CID 120792350
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120792352
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 120787190
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793443
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 120786862
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
1-[5-(aminomethyl)oxolan-2-yl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052402

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide (CID 120786668) is (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide?
The InChIKey is KRUILHFRDDXWQI-CABCVRRESA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-12-3-1-11(2-4-12)10-19(13-5-6-13)16(20)15-8-7-14(9-18)21-15/h1-4,13-15H,5-10,18H2/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.34, 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-[(4-chlorophenyl)methyl]-N-cyclopropyloxolane-2-carboxamide is sourced from PubChem (CID 120786668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).