6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid

C15H28N2O3 — CID 65285791

IUPAC6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C1CCC(N)CC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h11-12H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyDSKISUJXGZDGHI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds7

About 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid

6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65285791) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65285791
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C1CCC(N)CC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h11-12H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyDSKISUJXGZDGHI-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid (CID 65285791) is 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)C1CCC(N)CC1)CCC(=O)O.
What is the InChIKey of 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is DSKISUJXGZDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,8-7-13(18)19)9-10-17-14(20)11-3-5-12(16)6-4-11/h11-12H,3-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).