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

C13H23ClN2O2 — CID 120785367

IUPAC(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC(C2CC2)C2CC2)O1
InChIInChI=1S/C13H22N2O2.ClH/c14-7-10-5-6-11(17-10)13(16)15-12(8-1-2-8)9-3-4-9;/h8-12H,1-7,14H2,(H,15,16);1H/t10-,11+;/m1./s1
InChIKeyHPXODWQGYBFXGL-DHXVBOOMSA-N
MW274.79 g/mol
LogP1.22
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120785367) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120785367
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC(C2CC2)C2CC2)O1
InChIInChI=1S/C13H22N2O2.ClH/c14-7-10-5-6-11(17-10)13(16)15-12(8-1-2-8)9-3-4-9;/h8-12H,1-7,14H2,(H,15,16);1H/t10-,11+;/m1./s1
InChIKeyHPXODWQGYBFXGL-DHXVBOOMSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
CID 114417274
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
(2S,5R)-5-(aminomethyl)-N-[bis(4-fluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120789691
(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
CID 107564932
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]oxolane-2-carboxamide;dihydrochloride
CID 120801089
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
CID 120788183
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801109
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride (CID 120785367) is (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NC(C2CC2)C2CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is HPXODWQGYBFXGL-DHXVBOOMSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c14-7-10-5-6-11(17-10)13(16)15-12(8-1-2-8)9-3-4-9;/h8-12H,1-7,14H2,(H,15,16);1H/t10-,11+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.22, 5 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-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120785367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).