(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide

C14H24N2O3 — CID 120794144

IUPAC(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide
SMILESCC1(C)C(NC(=O)[C@@H]2CC[C@H](CN)O2)C2CCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(9-5-6-18-12(9)14)16-13(17)10-4-3-8(7-15)19-10/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10+,11?,12?/m1/s1
InChIKeyXKWPUQPVVADTHL-MZWQARALSA-N
MW268.36 g/mol
LogP0.42
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide (PubChem CID 120794144) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide
PubChem CID120794144
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide
SMILESCC1(C)C(NC(=O)[C@@H]2CC[C@H](CN)O2)C2CCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(9-5-6-18-12(9)14)16-13(17)10-4-3-8(7-15)19-10/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10+,11?,12?/m1/s1
InChIKeyXKWPUQPVVADTHL-MZWQARALSA-N
XLogP0.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214389
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 107221914
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97220226
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111459175
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide (CID 120794144) is (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide is CC1(C)C(NC(=O)[C@@H]2CC[C@H](CN)O2)C2CCOC21.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide?
The InChIKey is XKWPUQPVVADTHL-MZWQARALSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)11(9-5-6-18-12(9)14)16-13(17)10-4-3-8(7-15)19-10/h8-12H,3-7,15H2,1-2H3,(H,16,17)/t8-,9?,10+,11?,12?/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.42, 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-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).