2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid

C15H24N2O4 — CID 81165176

IUPAC2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CN2CCCCCC2=O)CCC1
InChIInChI=1S/C15H24N2O4/c18-12(10-17-8-3-1-2-5-13(17)19)16-11-15(6-4-7-15)9-14(20)21/h1-11H2,(H,16,18)(H,20,21)
InChIKeyKMELOPJRBQMLRT-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds6

About 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81165176) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81165176
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)CN2CCCCCC2=O)CCC1
InChIInChI=1S/C15H24N2O4/c18-12(10-17-8-3-1-2-5-13(17)19)16-11-15(6-4-7-15)9-14(20)21/h1-11H2,(H,16,18)(H,20,21)
InChIKeyKMELOPJRBQMLRT-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
1-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362099
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43169373
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
tert-butyl N-[1-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 55967344
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 114761889
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81165176) is 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)CN2CCCCCC2=O)CCC1.
What is the InChIKey of 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is KMELOPJRBQMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-12(10-17-8-3-1-2-5-13(17)19)16-11-15(6-4-7-15)9-14(20)21/h1-11H2,(H,16,18)(H,20,21).
What are the key properties of 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).