1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid

C9H16N2O4 — CID 11009347

IUPAC1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid
SMILESNC(CN1CCCC(C(=O)O)C1)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)5-11-3-1-2-6(4-11)8(12)13/h6-7H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyQRVSXETVENPQBC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.81
Rot. Bonds4

About 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid

1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid (PubChem CID 11009347) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid
PubChem CID11009347
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid
SMILESNC(CN1CCCC(C(=O)O)C1)C(=O)O
InChIInChI=1S/C9H16N2O4/c10-7(9(14)15)5-11-3-1-2-6(4-11)8(12)13/h6-7H,1-5,10H2,(H,12,13)(H,14,15)
InChIKeyQRVSXETVENPQBC-UHFFFAOYSA-N
XLogP-0.81
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid (CID 11009347) is 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid is NC(CN1CCCC(C(=O)O)C1)C(=O)O.
What is the InChIKey of 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid?
The InChIKey is QRVSXETVENPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-7(9(14)15)5-11-3-1-2-6(4-11)8(12)13/h6-7H,1-5,10H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid?
1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-carboxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 11009347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).