(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide

C14H26N2O2 — CID 120787762

IUPAC(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-10(2)16(11-5-3-4-6-11)14(17)13-8-7-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyOEEWGXLNGHXYTP-OLZOCXBDSA-N
MW254.37 g/mol
LogP1.67
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide (PubChem CID 120787762) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
PubChem CID120787762
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-10(2)16(11-5-3-4-6-11)14(17)13-8-7-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1
InChIKeyOEEWGXLNGHXYTP-OLZOCXBDSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.67
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-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120791383
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
(2S,5R)-5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyloxolane-2-carboxamide
CID 120792350
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide (CID 120787762) is (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide is CC(C)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is OEEWGXLNGHXYTP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)16(11-5-3-4-6-11)14(17)13-8-7-12(9-15)18-13/h10-13H,3-9,15H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.67, 4 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-cyclopentyl-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 120787762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).