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

C10H16N2O4 — CID 82041088

IUPAC2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
SMILESCC(C(=O)NCC(=O)O)N1CCC(=O)CC1
InChIInChI=1S/C10H16N2O4/c1-7(10(16)11-6-9(14)15)12-4-2-8(13)3-5-12/h7H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyXMAMHOYHHJAIRT-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds4

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

2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid (PubChem CID 82041088) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
PubChem CID82041088
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
SMILESCC(C(=O)NCC(=O)O)N1CCC(=O)CC1
InChIInChI=1S/C10H16N2O4/c1-7(10(16)11-6-9(14)15)12-4-2-8(13)3-5-12/h7H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyXMAMHOYHHJAIRT-UHFFFAOYSA-N
XLogP-0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
CID 82342699
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114500457
2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
CID 43117218
2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 39255217
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid (CID 82041088) is 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid is CC(C(=O)NCC(=O)O)N1CCC(=O)CC1.
What is the InChIKey of 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
The InChIKey is XMAMHOYHHJAIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(10(16)11-6-9(14)15)12-4-2-8(13)3-5-12/h7H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid?
2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 82041088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).