5-(3-carboxypropanoylamino)-4-oxopentanoic acid

C9H13NO6 — CID 102302142

IUPAC5-(3-carboxypropanoylamino)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C9H13NO6/c11-6(1-3-8(13)14)5-10-7(12)2-4-9(15)16/h1-5H2,(H,10,12)(H,13,14)(H,15,16)
InChIKeyWQMNUWSYBXZFFA-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.60
Rot. Bonds8

About 5-(3-carboxypropanoylamino)-4-oxopentanoic acid

5-(3-carboxypropanoylamino)-4-oxopentanoic acid (PubChem CID 102302142) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is 5-(3-carboxypropanoylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-carboxypropanoylamino)-4-oxopentanoic acid
PubChem CID102302142
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name5-(3-carboxypropanoylamino)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C9H13NO6/c11-6(1-3-8(13)14)5-10-7(12)2-4-9(15)16/h1-5H2,(H,10,12)(H,13,14)(H,15,16)
InChIKeyWQMNUWSYBXZFFA-UHFFFAOYSA-N
XLogP-0.60
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
CID 163453905
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
CID 160877136
4-(2-carboxyprop-2-enylamino)-4-oxobutanoic acid
CID 95304156
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
5-(2-methylbutanoylamino)-4-oxopentanoic acid
CID 59623900
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
4-[2-[2-(3-carboxypropanoylamino)acetyl]oxyethylamino]-4-oxobutanoic acid
CID 20648247
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
3-oxohexanedioic acid;sulfane
CID 174916165
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxypropanoylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(3-carboxypropanoylamino)-4-oxopentanoic acid (CID 102302142) is 5-(3-carboxypropanoylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(3-carboxypropanoylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(3-carboxypropanoylamino)-4-oxopentanoic acid is O=C(O)CCC(=O)CNC(=O)CCC(=O)O.
What is the InChIKey of 5-(3-carboxypropanoylamino)-4-oxopentanoic acid?
The InChIKey is WQMNUWSYBXZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c11-6(1-3-8(13)14)5-10-7(12)2-4-9(15)16/h1-5H2,(H,10,12)(H,13,14)(H,15,16).
What are the key properties of 5-(3-carboxypropanoylamino)-4-oxopentanoic acid?
5-(3-carboxypropanoylamino)-4-oxopentanoic acid has a molecular weight of 231.20 g/mol, XLogP of -0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxypropanoylamino)-4-oxopentanoic acid is sourced from PubChem (CID 102302142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).