2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid

C11H18N2O5 — CID 43318326

IUPAC2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid
SMILESCOC(=O)C1CCN(C(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-12(7-9(14)15)11(17)13-5-3-8(4-6-13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyCFWCVHSEHMOTFV-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.01
Rot. Bonds3

About 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid

2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid (PubChem CID 43318326) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid
PubChem CID43318326
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid
SMILESCOC(=O)C1CCN(C(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-12(7-9(14)15)11(17)13-5-3-8(4-6-13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyCFWCVHSEHMOTFV-UHFFFAOYSA-N
XLogP0.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid (CID 43318326) is 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid is COC(=O)C1CCN(C(=O)N(C)CC(=O)O)CC1.
What is the InChIKey of 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is CFWCVHSEHMOTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-12(7-9(14)15)11(17)13-5-3-8(4-6-13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid?
2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 43318326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).