(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride

C13H25ClN2O2 — CID 120792979

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-9(10-4-2-3-5-10)15-13(16)12-7-6-11(8-14)17-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H/t9?,11-,12+;/m1./s1
InChIKeyQFULVKRIVWJCIL-VSBBGWKJSA-N
MW276.81 g/mol
LogP1.61
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120792979) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120792979
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-9(10-4-2-3-5-10)15-13(16)12-7-6-11(8-14)17-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H/t9?,11-,12+;/m1./s1
InChIKeyQFULVKRIVWJCIL-VSBBGWKJSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
CID 114417274
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
CID 120788183
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
CID 120798240
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]oxolane-2-carboxamide;dihydrochloride
CID 120801089
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride (CID 120792979) is (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)C1CCCC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is QFULVKRIVWJCIL-VSBBGWKJSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-9(10-4-2-3-5-10)15-13(16)12-7-6-11(8-14)17-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H/t9?,11-,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120792979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).