2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid

C15H29NO3 — CID 122128239

IUPAC2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyZTORVNTVPNBTBC-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.67
Rot. Bonds8

About 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid

2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid (PubChem CID 122128239) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
PubChem CID122128239
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyZTORVNTVPNBTBC-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid (CID 122128239) is 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid is CCC(CC)(CNC1CCC(COC)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The InChIKey is ZTORVNTVPNBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid is sourced from PubChem (CID 122128239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).