1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid

C9H16N2O4 — CID 83989684

IUPAC1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(C(=O)OC)C1
InChIInChI=1S/C9H16N2O4/c1-10-7-3-6(8(12)13)4-11(5-7)9(14)15-2/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyAVONBQLXAYCCGC-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.25
Rot. Bonds2

About 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid

1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid (PubChem CID 83989684) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
PubChem CID83989684
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(C(=O)OC)C1
InChIInChI=1S/C9H16N2O4/c1-10-7-3-6(8(12)13)4-11(5-7)9(14)15-2/h6-7,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyAVONBQLXAYCCGC-UHFFFAOYSA-N
XLogP-0.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 45089180
5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 23291151
1-O-tert-butyl 3-O,5-O-dimethyl piperidine-1,3,5-tricarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
CID 167587673
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 170992486
methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
CID 86780329
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
(3S,5R)-5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 155971423
trimethyl 1,3-diazinane-1,3,5-tricarboxylate
CID 6483784
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009

Frequently Asked Questions

What is the IUPAC name of 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid (CID 83989684) is 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid is CNC1CC(C(=O)O)CN(C(=O)OC)C1.
What is the InChIKey of 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid?
The InChIKey is AVONBQLXAYCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10-7-3-6(8(12)13)4-11(5-7)9(14)15-2/h6-7,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid?
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83989684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).