2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid

C12H20N2O5 — CID 63645830

IUPAC2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-12(2)3-5-13(6-4-12)11(19)14(7-9(15)16)8-10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMVGALGOYIKXKJB-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.70
Rot. Bonds4

About 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 63645830) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID63645830
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-12(2)3-5-13(6-4-12)11(19)14(7-9(15)16)8-10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMVGALGOYIKXKJB-UHFFFAOYSA-N
XLogP0.70
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
2-[carboxymethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457557
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
CID 63161983
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81116489
2-[cyclopropylmethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457391
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-ethylamino]acetic acid
CID 107457328
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
2-[carboxymethyl-(1-oxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 63645978
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid (CID 63645830) is 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid is CC1(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1.
What is the InChIKey of 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is MVGALGOYIKXKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2)3-5-13(6-4-12)11(19)14(7-9(15)16)8-10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63645830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).