3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

C12H20N2O5 — CID 55105168

IUPAC3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCOC(=O)C1CCN(C(=O)NCC(C)C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(10(15)16)7-13-12(18)14-5-3-9(4-6-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyNOVMJAHZBKPGTF-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.30
Rot. Bonds4

About 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 55105168) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID55105168
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCOC(=O)C1CCN(C(=O)NCC(C)C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(10(15)16)7-13-12(18)14-5-3-9(4-6-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyNOVMJAHZBKPGTF-UHFFFAOYSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 55105168) is 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is COC(=O)C1CCN(C(=O)NCC(C)C(=O)O)CC1.
What is the InChIKey of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is NOVMJAHZBKPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(10(15)16)7-13-12(18)14-5-3-9(4-6-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16).
What are the key properties of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55105168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).