2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid

C15H27NO3 — CID 18966300

IUPAC2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
SMILESCC(C)(C)CC(=O)CC(N)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-12(17)10-15(16,13(18)19)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,18,19)
InChIKeyGGNMRYVYGBNLCF-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid

2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid (PubChem CID 18966300) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
PubChem CID18966300
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
SMILESCC(C)(C)CC(=O)CC(N)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-12(17)10-15(16,13(18)19)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,18,19)
InChIKeyGGNMRYVYGBNLCF-UHFFFAOYSA-N
XLogP2.74
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 123134609
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
3-amino-1-cyclopentyl-3-methylbutan-1-one
CID 82412671
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid?
The IUPAC name of 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid (CID 18966300) is 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid.
What is the SMILES notation for 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid?
The canonical SMILES for 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid is CC(C)(C)CC(=O)CC(N)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid?
The InChIKey is GGNMRYVYGBNLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)9-12(17)10-15(16,13(18)19)11-7-5-4-6-8-11/h11H,4-10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid?
2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid is sourced from PubChem (CID 18966300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).