1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid

C11H18N2O5 — CID 112568085

IUPAC1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(C)(N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-11(2,12)10(18)13-4-3-6(8(14)15)7(5-13)9(16)17/h6-7H,3-5,12H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDNSYRCRUCVGJJM-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.64
Rot. Bonds3

About 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid

1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568085) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568085
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(C)(N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-11(2,12)10(18)13-4-3-6(8(14)15)7(5-13)9(16)17/h6-7H,3-5,12H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDNSYRCRUCVGJJM-UHFFFAOYSA-N
XLogP-0.64
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
4-(2-amino-2-methylpropanoyl)-1-tert-butylpiperazine-2-carboxylic acid
CID 168747800
1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
CID 115918606
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid (CID 112568085) is 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid is CC(C)(N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is DNSYRCRUCVGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,12)10(18)13-4-3-6(8(14)15)7(5-13)9(16)17/h6-7H,3-5,12H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).