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

C15H26N2O4 — CID 120540216

IUPAC1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC(=O)C(C)(C)C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-10-11(18)17(4)15(13(20)21)8-6-5-7-9-15/h5-10H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyGAVPNVMTHHFDNT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds4

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

1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120540216) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120540216
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC(=O)C(C)(C)C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-10-11(18)17(4)15(13(20)21)8-6-5-7-9-15/h5-10H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyGAVPNVMTHHFDNT-UHFFFAOYSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539809
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
1-[(2-tert-butylsulfanylacetyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539611
1-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539701
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539722
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 130573712
1-[methyl-(2-propylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539931
1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115000390
1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539963
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120540216) is 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid is CN(C(=O)CNC(=O)C(C)(C)C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GAVPNVMTHHFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-10-11(18)17(4)15(13(20)21)8-6-5-7-9-15/h5-10H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).