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

C14H24N2O4 — CID 64812284

IUPAC2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-8-11(17)16-10-7-5-4-6-9(10)12(18)19/h9-10H,4-8H2,1-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyZOJMPTRBXQLRKB-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds4

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

2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64812284) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64812284
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-8-11(17)16-10-7-5-4-6-9(10)12(18)19/h9-10H,4-8H2,1-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyZOJMPTRBXQLRKB-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817864
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 167012042
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
N-[2-(cyclopentyloxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 83201783
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64812284) is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid is CC(C)(C)C(=O)NCC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZOJMPTRBXQLRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-8-11(17)16-10-7-5-4-6-9(10)12(18)19/h9-10H,4-8H2,1-3H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.91, 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)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64812284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).