3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

C10H16N2O4 — CID 114897445

IUPAC3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)9(14)12-5-3-2-4-7(12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyKIHACKUDEVTFHD-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.43
Rot. Bonds3

About 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid

3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (PubChem CID 114897445) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
PubChem CID114897445
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)9(14)12-5-3-2-4-7(12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16)
InChIKeyKIHACKUDEVTFHD-UHFFFAOYSA-N
XLogP-0.43
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
3-[2-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897379
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid (CID 114897445) is 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
The InChIKey is KIHACKUDEVTFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(10(15)16)9(14)12-5-3-2-4-7(12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13)(H,15,16).
What are the key properties of 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid?
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).