2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid

C10H16N2O4 — CID 39255217

IUPAC2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C10H16N2O4/c13-8-1-4-12(5-2-8)6-3-9(14)11-7-10(15)16/h1-7H2,(H,11,14)(H,15,16)
InChIKeyBSKQCGBILSIHNP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds5

About 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid

2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid (PubChem CID 39255217) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
PubChem CID39255217
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C10H16N2O4/c13-8-1-4-12(5-2-8)6-3-9(14)11-7-10(15)16/h1-7H2,(H,11,14)(H,15,16)
InChIKeyBSKQCGBILSIHNP-UHFFFAOYSA-N
XLogP-0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 143593823
2-[[2-[4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoylamino]acetyl]amino]acetic acid
CID 167073101
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide
CID 122217061
2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 82041088
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
2-[4-(1,3-dihydroisoindol-2-yl)butanoylamino]acetic acid
CID 121497297
1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
CID 91564845
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
CID 52983761
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid (CID 39255217) is 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid is O=C(O)CNC(=O)CCN1CCC(=O)CC1.
What is the InChIKey of 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The InChIKey is BSKQCGBILSIHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8-1-4-12(5-2-8)6-3-9(14)11-7-10(15)16/h1-7H2,(H,11,14)(H,15,16).
What are the key properties of 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 39255217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).