(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide

C13H26N2O3 — CID 120794872

IUPAC(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H26N2O3/c1-9(16)6-13(2,3)8-15-12(17)11-5-4-10(7-14)18-11/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10-,11+/m1/s1
InChIKeyPOZIYKAXPZMXLL-ZOCYIJKUSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide (PubChem CID 120794872) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
PubChem CID120794872
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H26N2O3/c1-9(16)6-13(2,3)8-15-12(17)11-5-4-10(7-14)18-11/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10-,11+/m1/s1
InChIKeyPOZIYKAXPZMXLL-ZOCYIJKUSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
CID 114169312
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S,5R)-5-(aminomethyl)-N-(2-tert-butylsulfinylethyl)oxolane-2-carboxamide;hydrochloride
CID 120793223
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
CID 114417274

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide (CID 120794872) is (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide is CC(O)CC(C)(C)CNC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide?
The InChIKey is POZIYKAXPZMXLL-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(16)6-13(2,3)8-15-12(17)11-5-4-10(7-14)18-11/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)/t9?,10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide is sourced from PubChem (CID 120794872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).