2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid

C9H14N2O4 — CID 114897426

IUPAC2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H14N2O4/c1-5(9(14)15)7(12)11-6-3-2-4-10-8(6)13/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyHGCLIHSLUDBSSJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.90
Rot. Bonds3

About 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid

2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid (PubChem CID 114897426) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
PubChem CID114897426
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H14N2O4/c1-5(9(14)15)7(12)11-6-3-2-4-10-8(6)13/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyHGCLIHSLUDBSSJ-UHFFFAOYSA-N
XLogP-0.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
2-methyl-4-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80541957
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 62094367
2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
CID 164647044
3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853219
2-methyl-3-oxo-3-[(3-oxo-1,2-oxazolidin-4-yl)amino]propanoic acid
CID 130979863
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid (CID 114897426) is 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid is CC(C(=O)O)C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid?
The InChIKey is HGCLIHSLUDBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(9(14)15)7(12)11-6-3-2-4-10-8(6)13/h5-6H,2-4H2,1H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid?
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 114897426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).