3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C14H26N2O4 — CID 102628994

IUPAC3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1C(N)CCC(C(=O)NCC(C)(O)C(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O4/c1-8-10(15)6-5-9(13(8,2)3)11(17)16-7-14(4,20)12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHLSKVBFZZYGHDA-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.34
Rot. Bonds4

About 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 102628994) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID102628994
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1C(N)CCC(C(=O)NCC(C)(O)C(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O4/c1-8-10(15)6-5-9(13(8,2)3)11(17)16-7-14(4,20)12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHLSKVBFZZYGHDA-UHFFFAOYSA-N
XLogP0.34
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Tert-butylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172777
3-[(3-Aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174924
3-[[2-(Aminomethyl)cyclohexanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175768
3-[(4-Aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176183
3-[(2-Aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176192
2-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid
CID 102628578
3-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]propanoic acid
CID 102628580
2-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid
CID 102628588
2-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]propanoic acid
CID 102628590
3-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
CID 102628599
2-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 102628600
2-[(4-Amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
CID 102628601

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 102628994) is 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC1C(N)CCC(C(=O)NCC(C)(O)C(=O)O)C1(C)C.
What is the InChIKey of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is HLSKVBFZZYGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-8-10(15)6-5-9(13(8,2)3)11(17)16-7-14(4,20)12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 102628994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).