2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid

C13H24N2O6 — CID 67929862

IUPAC2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid
SMILESCC(C)(N)C(=O)NC[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2.C2H2O4/c1-11(2,12)10(15)13-7-8-5-3-4-6-9(8)14;3-1(4)2(5)6/h8-9,14H,3-7,12H2,1-2H3,(H,13,15);(H,3,4)(H,5,6)/t8-,9+;/m0./s1
InChIKeyXHMXHYKMAUNZJK-OULXEKPRSA-N
MW304.34 g/mol
LogP-0.45
Rot. Bonds3

About 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid

2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid (PubChem CID 67929862) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid.

Molecular Properties

Compound Name2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid
PubChem CID67929862
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid
SMILESCC(C)(N)C(=O)NC[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O2.C2H2O4/c1-11(2,12)10(15)13-7-8-5-3-4-6-9(8)14;3-1(4)2(5)6/h8-9,14H,3-7,12H2,1-2H3,(H,13,15);(H,3,4)(H,5,6)/t8-,9+;/m0./s1
InChIKeyXHMXHYKMAUNZJK-OULXEKPRSA-N
XLogP-0.45
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid 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

2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 64910829
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N-[(2-hydroxycyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103708572
N-[[(2R)-2-hydroxycyclohexyl]methyl]-2-methyl-2-phenylsulfanylpropanamide
CID 59219371
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid?
The IUPAC name of 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid (CID 67929862) is 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid.
What is the SMILES notation for 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid?
The canonical SMILES for 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid is CC(C)(N)C(=O)NC[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O.
What is the InChIKey of 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid?
The InChIKey is XHMXHYKMAUNZJK-OULXEKPRSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H2O4/c1-11(2,12)10(15)13-7-8-5-3-4-6-9(8)14;3-1(4)2(5)6/h8-9,14H,3-7,12H2,1-2H3,(H,13,15);(H,3,4)(H,5,6)/t8-,9+;/m0./s1.
What are the key properties of 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid?
2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid has a molecular weight of 304.34 g/mol, XLogP of -0.45, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide;oxalic acid is sourced from PubChem (CID 67929862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).