4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride

C8H14ClNO4 — CID 170342149

IUPAC4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)CC1(C(=O)O)CCNCC1
InChIInChI=1S/C8H13NO4.ClH/c10-6(11)5-8(7(12)13)1-3-9-4-2-8;/h9H,1-5H2,(H,10,11)(H,12,13);1H
InChIKeyPISGQFHQOIKQGT-UHFFFAOYSA-N
MW223.66 g/mol
LogP0.34
Rot. Bonds3

About 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride

4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 170342149) has the molecular formula C8H14ClNO4 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID170342149
Molecular FormulaC8H14ClNO4
Molecular Weight223.66 g/mol
Exact Mass223.06
IUPAC Name4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)CC1(C(=O)O)CCNCC1
InChIInChI=1S/C8H13NO4.ClH/c10-6(11)5-8(7(12)13)1-3-9-4-2-8;/h9H,1-5H2,(H,10,11)(H,12,13);1H
InChIKeyPISGQFHQOIKQGT-UHFFFAOYSA-N
XLogP0.34
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride (CID 170342149) is 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)CC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is PISGQFHQOIKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.ClH/c10-6(11)5-8(7(12)13)1-3-9-4-2-8;/h9H,1-5H2,(H,10,11)(H,12,13);1H.
What are the key properties of 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride?
4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 223.66 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 170342149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).