1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid

C12H21NO4 — CID 82223992

IUPAC1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)COC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)8-17-11(14)7-13-6-4-3-5-10(13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOJMYMLIOQDQIY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds5

About 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 82223992) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID82223992
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)COC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)8-17-11(14)7-13-6-4-3-5-10(13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOJMYMLIOQDQIY-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441174
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
CID 169208784
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-(3-chloro-2-methylprop-2-enyl)azepane-2-carboxylic acid
CID 106439274
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
CID 61489667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid (CID 82223992) is 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid is CC(C)COC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is POJMYMLIOQDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)8-17-11(14)7-13-6-4-3-5-10(13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82223992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).