6-methoxycarbonylpiperidine-3-carboxylic acid

C8H13NO4 — CID 19699657

IUPAC6-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCOC(=O)C1CCC(C(=O)O)CN1
InChIInChI=1S/C8H13NO4/c1-13-8(12)6-3-2-5(4-9-6)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyLPWAJEKUNAMJOG-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.39
Rot. Bonds2

About 6-methoxycarbonylpiperidine-3-carboxylic acid

6-methoxycarbonylpiperidine-3-carboxylic acid (PubChem CID 19699657) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-methoxycarbonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonylpiperidine-3-carboxylic acid
PubChem CID19699657
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name6-methoxycarbonylpiperidine-3-carboxylic acid
SMILESCOC(=O)C1CCC(C(=O)O)CN1
InChIInChI=1S/C8H13NO4/c1-13-8(12)6-3-2-5(4-9-6)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)
InChIKeyLPWAJEKUNAMJOG-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-carbamoylpiperidine-2-carboxylate
CID 130740109
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 5-tert-butylpiperidine-2-carboxylate
CID 138987475
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methoxycarbonylpiperidine-3-carboxylic acid (CID 19699657) is 6-methoxycarbonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methoxycarbonylpiperidine-3-carboxylic acid is COC(=O)C1CCC(C(=O)O)CN1.
What is the InChIKey of 6-methoxycarbonylpiperidine-3-carboxylic acid?
The InChIKey is LPWAJEKUNAMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)6-3-2-5(4-9-6)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 6-methoxycarbonylpiperidine-3-carboxylic acid?
6-methoxycarbonylpiperidine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 19699657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).