3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid

C16H30N2O3 — CID 65265403

IUPAC3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCC(=O)NC1CCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-15(2,14(20)21)16(3,4)17-11-13(19)18-12-9-7-5-6-8-10-12/h12,17H,5-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyZEPRVBRCMYGXMD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.30
Rot. Bonds6

About 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265403) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265403
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCC(=O)NC1CCCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-15(2,14(20)21)16(3,4)17-11-13(19)18-12-9-7-5-6-8-10-12/h12,17H,5-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyZEPRVBRCMYGXMD-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 113350261
N-cyclopentyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43389811
N-cyclohexyl-2-(2-methylpentan-2-ylamino)acetamide
CID 115621342
N-cyclopentyl-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 103949963
N-cyclohexyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 115747911
N-cyclopropyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911934
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid (CID 65265403) is 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid is CC(C)(NCC(=O)NC1CCCCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is ZEPRVBRCMYGXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,14(20)21)16(3,4)17-11-13(19)18-12-9-7-5-6-8-10-12/h12,17H,5-11H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).