(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride

C16H29ClN2O3 — CID 120796425

IUPAC(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)O1
InChIInChI=1S/C16H28N2O3.ClH/c17-11-13-1-2-14(21-13)15(19)18-12-3-5-16(6-4-12)7-9-20-10-8-16;/h12-14H,1-11,17H2,(H,18,19);1H/t13-,14+;/m1./s1
InChIKeyZZCUIWYLOBDPKH-DFQHDRSWSA-N
MW332.87 g/mol
LogP1.77
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120796425) has the molecular formula C16H29ClN2O3 and a molecular weight of 332.87 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120796425
Molecular FormulaC16H29ClN2O3
Molecular Weight332.87 g/mol
Exact Mass332.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)O1
InChIInChI=1S/C16H28N2O3.ClH/c17-11-13-1-2-14(21-13)15(19)18-12-3-5-16(6-4-12)7-9-20-10-8-16;/h12-14H,1-11,17H2,(H,18,19);1H/t13-,14+;/m1./s1
InChIKeyZZCUIWYLOBDPKH-DFQHDRSWSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
CID 120793572
(2S,5R)-5-(aminomethyl)-N-[4-(oxan-4-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799689
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83099301
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120797812

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride (CID 120796425) is (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is ZZCUIWYLOBDPKH-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H28N2O3.ClH/c17-11-13-1-2-14(21-13)15(19)18-12-3-5-16(6-4-12)7-9-20-10-8-16;/h12-14H,1-11,17H2,(H,18,19);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 332.87 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120796425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).