2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid

C11H18N2O4 — CID 119171385

IUPAC2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CCCCCCC1=O
InChIInChI=1S/C11H18N2O4/c14-9(12-7-11(16)17)8-13-6-4-2-1-3-5-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeyCGNGUANFEQFBJO-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds4

About 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid

2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid (PubChem CID 119171385) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
PubChem CID119171385
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CCCCCCC1=O
InChIInChI=1S/C11H18N2O4/c14-9(12-7-11(16)17)8-13-6-4-2-1-3-5-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeyCGNGUANFEQFBJO-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
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-[1-[[[2-(2-oxoazepan-1-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165176
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
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid (CID 119171385) is 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CN1CCCCCCC1=O.
What is the InChIKey of 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
The InChIKey is CGNGUANFEQFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(12-7-11(16)17)8-13-6-4-2-1-3-5-10(13)15/h1-8H2,(H,12,14)(H,16,17).
What are the key properties of 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid?
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119171385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).