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

C11H18N2O6 — CID 112543481

IUPAC1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCOC(=O)NC1CC(C(=O)O)CN(CCC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-19-11(18)12-8-4-7(10(16)17)5-13(6-8)3-2-9(14)15/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyWMCFCHIXFMRXEV-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.41
Rot. Bonds5

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

1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (PubChem CID 112543481) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
PubChem CID112543481
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
SMILESCOC(=O)NC1CC(C(=O)O)CN(CCC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-19-11(18)12-8-4-7(10(16)17)5-13(6-8)3-2-9(14)15/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyWMCFCHIXFMRXEV-UHFFFAOYSA-N
XLogP-0.41
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
3-[1-(cyanomethyl)-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543531
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
1-(1-cyclopropylpropyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543441
1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544166
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid (CID 112543481) is 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is COC(=O)NC1CC(C(=O)O)CN(CCC(=O)O)C1.
What is the InChIKey of 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is WMCFCHIXFMRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-19-11(18)12-8-4-7(10(16)17)5-13(6-8)3-2-9(14)15/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid?
1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 112543481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).