2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid

C12H20N2O6 — CID 107228199

IUPAC2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H20N2O6/c15-5-3-9-2-1-4-13(6-9)12(20)14(7-10(16)17)8-11(18)19/h9,15H,1-8H2,(H,16,17)(H,18,19)
InChIKeyGSOYQJWBQMYHPX-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.33
Rot. Bonds6

About 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid

2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 107228199) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID107228199
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C12H20N2O6/c15-5-3-9-2-1-4-13(6-9)12(20)14(7-10(16)17)8-11(18)19/h9,15H,1-8H2,(H,16,17)(H,18,19)
InChIKeyGSOYQJWBQMYHPX-UHFFFAOYSA-N
XLogP-0.33
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid (CID 107228199) is 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is GSOYQJWBQMYHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c15-5-3-9-2-1-4-13(6-9)12(20)14(7-10(16)17)8-11(18)19/h9,15H,1-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 107228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).