1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid

C10H16N2O5 — CID 113353831

IUPAC1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-5(11)8(13)12-3-2-6(9(14)15)7(4-12)10(16)17/h5-7H,2-4,11H2,1H3,(H,14,15)(H,16,17)/t5-,6?,7?/m1/s1
InChIKeyBCHVQGSSMBSGSO-GRQBKTHUSA-N
MW244.25 g/mol
LogP-1.03
Rot. Bonds3

About 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid

1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid (PubChem CID 113353831) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
PubChem CID113353831
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-5(11)8(13)12-3-2-6(9(14)15)7(4-12)10(16)17/h5-7H,2-4,11H2,1H3,(H,14,15)(H,16,17)/t5-,6?,7?/m1/s1
InChIKeyBCHVQGSSMBSGSO-GRQBKTHUSA-N
XLogP-1.03
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid (CID 113353831) is 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid is C[C@@H](N)C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is BCHVQGSSMBSGSO-GRQBKTHUSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-5(11)8(13)12-3-2-6(9(14)15)7(4-12)10(16)17/h5-7H,2-4,11H2,1H3,(H,14,15)(H,16,17)/t5-,6?,7?/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid?
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 113353831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).