4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid

C14H26N2O3 — CID 55006417

IUPAC4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(10-6-9-14(18)19)11-13(17)15-12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyWLJYCEPOIZLRFT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds7

About 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid

4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid (PubChem CID 55006417) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
PubChem CID55006417
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(10-6-9-14(18)19)11-13(17)15-12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyWLJYCEPOIZLRFT-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
4-[methyl-[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 63097843
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
3-[[2-(cyclohexylamino)-2-oxoethyl]-(3-hydroxypropyl)amino]propanoic acid
CID 82326965
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid (CID 55006417) is 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid is CN(CCCC(=O)O)CC(=O)NC1CCCCCC1.
What is the InChIKey of 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid?
The InChIKey is WLJYCEPOIZLRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(10-6-9-14(18)19)11-13(17)15-12-7-4-2-3-5-8-12/h12H,2-11H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid?
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid is sourced from PubChem (CID 55006417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).