2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid

C11H18N2O5 — CID 63645070

IUPAC2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CC1CCCNC1
InChIInChI=1S/C11H18N2O5/c14-9(4-8-2-1-3-12-5-8)13(6-10(15)16)7-11(17)18/h8,12H,1-7H2,(H,15,16)(H,17,18)
InChIKeyVOWRHHYZQMEYSF-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.63
Rot. Bonds6

About 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid

2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid (PubChem CID 63645070) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
PubChem CID63645070
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CC1CCCNC1
InChIInChI=1S/C11H18N2O5/c14-9(4-8-2-1-3-12-5-8)13(6-10(15)16)7-11(17)18/h8,12H,1-7H2,(H,15,16)(H,17,18)
InChIKeyVOWRHHYZQMEYSF-UHFFFAOYSA-N
XLogP-0.63
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
CID 107434388
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62690375
N,N-bis(2-amino-2-oxoethyl)-3-piperidin-3-ylpropanamide
CID 55133581
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62674909

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid (CID 63645070) is 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)CC1CCCNC1.
What is the InChIKey of 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid?
The InChIKey is VOWRHHYZQMEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-9(4-8-2-1-3-12-5-8)13(6-10(15)16)7-11(17)18/h8,12H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid?
2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid is sourced from PubChem (CID 63645070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).