4-ethoxycarbonylpiperidine-1-carboxylic acid

C9H15NO4 — CID 21189657

IUPAC4-ethoxycarbonylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyKVRBNBMSDIVHTB-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds2

About 4-ethoxycarbonylpiperidine-1-carboxylic acid

4-ethoxycarbonylpiperidine-1-carboxylic acid (PubChem CID 21189657) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-ethoxycarbonylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonylpiperidine-1-carboxylic acid
PubChem CID21189657
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-ethoxycarbonylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyKVRBNBMSDIVHTB-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 67082647
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
4-aminooxycarbonylpiperidine-1-carboxylic acid
CID 150077485
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonylpiperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonylpiperidine-1-carboxylic acid (CID 21189657) is 4-ethoxycarbonylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonylpiperidine-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-ethoxycarbonylpiperidine-1-carboxylic acid?
The InChIKey is KVRBNBMSDIVHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-ethoxycarbonylpiperidine-1-carboxylic acid?
4-ethoxycarbonylpiperidine-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonylpiperidine-1-carboxylic acid is sourced from PubChem (CID 21189657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).