ethane;1-propan-2-ylpiperidine-2-carboxylic acid

C13H29NO2 — CID 144742898

IUPACethane;1-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC.CC.CC(C)N1CCCCC1C(=O)O
InChIInChI=1S/C9H17NO2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-2/h7-8H,3-6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyHLECPXFALAYIKV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.39
Rot. Bonds2

About ethane;1-propan-2-ylpiperidine-2-carboxylic acid

ethane;1-propan-2-ylpiperidine-2-carboxylic acid (PubChem CID 144742898) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;1-propan-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;1-propan-2-ylpiperidine-2-carboxylic acid
PubChem CID144742898
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;1-propan-2-ylpiperidine-2-carboxylic acid
SMILESCC.CC.CC(C)N1CCCCC1C(=O)O
InChIInChI=1S/C9H17NO2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-2/h7-8H,3-6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyHLECPXFALAYIKV-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64564332
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of ethane;1-propan-2-ylpiperidine-2-carboxylic acid (CID 144742898) is ethane;1-propan-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for ethane;1-propan-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for ethane;1-propan-2-ylpiperidine-2-carboxylic acid is CC.CC.CC(C)N1CCCCC1C(=O)O.
What is the InChIKey of ethane;1-propan-2-ylpiperidine-2-carboxylic acid?
The InChIKey is HLECPXFALAYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-2/h7-8H,3-6H2,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;1-propan-2-ylpiperidine-2-carboxylic acid?
ethane;1-propan-2-ylpiperidine-2-carboxylic acid has a molecular weight of 231.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 144742898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).