2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 64812498

IUPAC2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-9(16-14(21)15(2,3)4)12(18)17-11-8-6-5-7-10(11)13(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyATPHICXXNBSNDF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds4

About 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid

2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64812498) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID64812498
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-9(16-14(21)15(2,3)4)12(18)17-11-8-6-5-7-10(11)13(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyATPHICXXNBSNDF-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 77053196
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814781
2,2-dimethyl-N-[1-oxo-1-(piperidin-3-ylamino)propan-2-yl]propanamide
CID 119428227
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 64812498) is 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid is CC(NC(=O)C(C)(C)C)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ATPHICXXNBSNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9(16-14(21)15(2,3)4)12(18)17-11-8-6-5-7-10(11)13(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).