2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid

C12H20N2O5 — CID 55246330

IUPAC2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)CC(=O)O)C1C
InChIInChI=1S/C12H20N2O5/c1-8-4-3-5-14(9(8)2)12(19)13(6-10(15)16)7-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAVNOKRWHOPBPDF-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.70
Rot. Bonds4

About 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid

2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 55246330) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID55246330
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)CC(=O)O)C1C
InChIInChI=1S/C12H20N2O5/c1-8-4-3-5-14(9(8)2)12(19)13(6-10(15)16)7-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAVNOKRWHOPBPDF-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-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266286
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
CID 62889383
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 102727473
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid (CID 55246330) is 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid is CC1CCCN(C(=O)N(CC(=O)O)CC(=O)O)C1C.
What is the InChIKey of 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is AVNOKRWHOPBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8-4-3-5-14(9(8)2)12(19)13(6-10(15)16)7-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(2,3-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-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 55246330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).