2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid

C10H16N2O5 — CID 2813121

IUPAC2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H16N2O5/c13-8(5-17-6-9(14)15)12-7-3-1-2-4-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGSZQUZGOQDNDID-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.13
Rot. Bonds5

About 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid

2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid (PubChem CID 2813121) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
PubChem CID2813121
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H16N2O5/c13-8(5-17-6-9(14)15)12-7-3-1-2-4-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGSZQUZGOQDNDID-UHFFFAOYSA-N
XLogP-1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]oxyacetic acid
CID 71454254
(2R)-2-[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoyl]oxypropanoic acid
CID 44313445
(2R)-2-[2-[[(2S)-2,6-diacetamidohexanoyl]amino]acetyl]oxypropanoic acid
CID 44313464
2-[2-(Carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]amino]acetic acid
CID 109972
Ethyl2-oxo-2-[(2-oxoazepan-3-YL)amino]acetate
CID 2777156
diacetyl-L-lys-D-ala-D-lac
CID 78480651
3-[2-(2-Hydroxyethoxy)ethylamino]azepan-2-one
CID 12880037
(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 20610991
Methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate
CID 59682490
6-Amino-2-[[2-[2-(2-hydroxyethoxy)ethoxy]acetyl]amino]hexanoic acid
CID 60056603
2-Oxo-2-[(2-oxoazepan-3-yl)amino]acetic acid
CID 69822871
(2S)-6-amino-2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]hexanoic acid
CID 87109277

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid (CID 2813121) is 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid is O=C(O)COCC(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid?
The InChIKey is GSZQUZGOQDNDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-8(5-17-6-9(14)15)12-7-3-1-2-4-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid?
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid has a molecular weight of 244.25 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethoxy]acetic acid is sourced from PubChem (CID 2813121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).