5-(2-carboxyethylamino)-5-oxopentanoic acid

C8H13NO5 — CID 12762492

IUPAC5-(2-carboxyethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C8H13NO5/c10-6(2-1-3-7(11)12)9-5-4-8(13)14/h1-5H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyOEZNRZSGDVBGIJ-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.17
Rot. Bonds7

About 5-(2-carboxyethylamino)-5-oxopentanoic acid

5-(2-carboxyethylamino)-5-oxopentanoic acid (PubChem CID 12762492) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(2-carboxyethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-carboxyethylamino)-5-oxopentanoic acid
PubChem CID12762492
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name5-(2-carboxyethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC(=O)O
InChIInChI=1S/C8H13NO5/c10-6(2-1-3-7(11)12)9-5-4-8(13)14/h1-5H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyOEZNRZSGDVBGIJ-UHFFFAOYSA-N
XLogP-0.17
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxyethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(2-carboxyethylamino)-5-oxopentanoic acid (CID 12762492) is 5-(2-carboxyethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-carboxyethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-carboxyethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCC(=O)O.
What is the InChIKey of 5-(2-carboxyethylamino)-5-oxopentanoic acid?
The InChIKey is OEZNRZSGDVBGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c10-6(2-1-3-7(11)12)9-5-4-8(13)14/h1-5H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 5-(2-carboxyethylamino)-5-oxopentanoic acid?
5-(2-carboxyethylamino)-5-oxopentanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxyethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 12762492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).