2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid

C9H16N2O3 — CID 114898892

IUPAC2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O3/c1-7(9(13)14)8(12)10-11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyDLJUNQNTEVODCP-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.22
Rot. Bonds3

About 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid

2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid (PubChem CID 114898892) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
PubChem CID114898892
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C9H16N2O3/c1-7(9(13)14)8(12)10-11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyDLJUNQNTEVODCP-UHFFFAOYSA-N
XLogP0.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.22
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

2-Methyl-3-oxo-3-(pyrrolidin-1-ylamino)propanoic acid
CID 70149749
1-Tert-butyl-3-oxodiazinane-4-carboxylic acid
CID 21859367
2-Methyl-3-(piperidin-1-ylamino)propanoic acid
CID 83014488
3-[(2,6-Dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 83022684
2,2-Dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83023031
1-(Piperidin-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83023113
3-Oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
3-[(2,6-Dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
2-Methyl-3-(3-oxodiazinan-1-yl)propanoic acid
CID 105442043
2,2-Dimethyl-3-(3-oxodiazinan-1-yl)propanoic acid
CID 105452749
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 113534236
3-[(2,6-Dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114898893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid (CID 114898892) is 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid is CC(C(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The InChIKey is DLJUNQNTEVODCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(9(13)14)8(12)10-11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid?
2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 114898892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).