(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide

C13H24N2O2 — CID 119344557

IUPAC(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(14)12(16)15-11-2-4-13(5-3-11)6-8-17-9-7-13/h10-11H,2-9,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWOEUPFIRRJSHAC-SNVBAGLBSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds2

About (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide

(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide (PubChem CID 119344557) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide
PubChem CID119344557
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(14)12(16)15-11-2-4-13(5-3-11)6-8-17-9-7-13/h10-11H,2-9,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWOEUPFIRRJSHAC-SNVBAGLBSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43610149
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(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
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(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
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(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959
3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide
CID 167940683

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide (CID 119344557) is (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide is C[C@@H](N)C(=O)NC1CCC2(CCOCC2)CC1.
What is the InChIKey of (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide?
The InChIKey is WOEUPFIRRJSHAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(14)12(16)15-11-2-4-13(5-3-11)6-8-17-9-7-13/h10-11H,2-9,14H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide?
(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide is sourced from PubChem (CID 119344557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).