1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid

C10H18N2O4 — CID 83990009

IUPAC1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(CCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11-8-4-7(10(15)16)5-12(6-8)3-2-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGWEPVQVVBFCRFW-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.54
Rot. Bonds5

About 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid

1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid (PubChem CID 83990009) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
PubChem CID83990009
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(CCC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11-8-4-7(10(15)16)5-12(6-8)3-2-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGWEPVQVVBFCRFW-UHFFFAOYSA-N
XLogP-0.54
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 83990640
3-[3-methyl-5-(3-methylbutylamino)piperidin-1-yl]propanoic acid
CID 83996058
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
3-(3-aminoazetidin-1-yl)propanoic acid
CID 65249489

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid (CID 83990009) is 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid is CNC1CC(C(=O)O)CN(CCC(=O)O)C1.
What is the InChIKey of 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The InChIKey is GWEPVQVVBFCRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-8-4-7(10(15)16)5-12(6-8)3-2-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid?
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83990009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).