2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H24N2O4 — CID 164549534

IUPAC2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(O)C(N)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,19)10(14)11(16)15-7-8-5-3-4-6-9(8)12(17)18/h8-10,19H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWLASMZDOFVLDJI-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.09
Rot. Bonds5

About 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid

2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 164549534) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID164549534
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(O)C(N)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,19)10(14)11(16)15-7-8-5-3-4-6-9(8)12(17)18/h8-10,19H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWLASMZDOFVLDJI-UHFFFAOYSA-N
XLogP0.09
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 164549432
CID 164549432
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
2-[[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549554
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114105255
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
CID 164549514
CID 164549514
2-[[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164549463

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 164549534) is 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)(O)C(N)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WLASMZDOFVLDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,19)10(14)11(16)15-7-8-5-3-4-6-9(8)12(17)18/h8-10,19H,3-7,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 164549534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).