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

C16H30N2O3 — CID 102628753

IUPAC4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC1C(N)CCC(C(=O)NC(C)(C)CCC(=O)O)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-10-12(17)7-6-11(16(10,4)5)14(21)18-15(2,3)9-8-13(19)20/h10-12H,6-9,17H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyDFGCZWQDVWYGGG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.15
Rot. Bonds5

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

4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 102628753) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID102628753
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC1C(N)CCC(C(=O)NC(C)(C)CCC(=O)O)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-10-12(17)7-6-11(16(10,4)5)14(21)18-15(2,3)9-8-13(19)20/h10-12H,6-9,17H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyDFGCZWQDVWYGGG-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid (CID 102628753) is 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid is CC1C(N)CCC(C(=O)NC(C)(C)CCC(=O)O)C1(C)C.
What is the InChIKey of 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is DFGCZWQDVWYGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-10-12(17)7-6-11(16(10,4)5)14(21)18-15(2,3)9-8-13(19)20/h10-12H,6-9,17H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 102628753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).