2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid

C11H18N2O5 — CID 69247907

IUPAC2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid
SMILESN[C@@H](CCC(=O)C1(C(=O)O)CCCCN1)C(=O)O
InChIInChI=1S/C11H18N2O5/c12-7(9(15)16)3-4-8(14)11(10(17)18)5-1-2-6-13-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11?/m0/s1
InChIKeyVVUIQXBXBCEGLA-RGENBBCFSA-N
MW258.27 g/mol
LogP-0.66
Rot. Bonds6

About 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid

2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid (PubChem CID 69247907) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid
PubChem CID69247907
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid
SMILESN[C@@H](CCC(=O)C1(C(=O)O)CCCCN1)C(=O)O
InChIInChI=1S/C11H18N2O5/c12-7(9(15)16)3-4-8(14)11(10(17)18)5-1-2-6-13-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11?/m0/s1
InChIKeyVVUIQXBXBCEGLA-RGENBBCFSA-N
XLogP-0.66
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid (CID 69247907) is 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid is N[C@@H](CCC(=O)C1(C(=O)O)CCCCN1)C(=O)O.
What is the InChIKey of 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid?
The InChIKey is VVUIQXBXBCEGLA-RGENBBCFSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-7(9(15)16)3-4-8(14)11(10(17)18)5-1-2-6-13-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11?/m0/s1.
What are the key properties of 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid?
2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-4-carboxybutanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 69247907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).