1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

C16H30N2O3 — CID 43441174

IUPAC1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17-8-6-5-7-14(17)16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyAQDGKSRNZFZIBJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.07
Rot. Bonds7

About 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441174) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441174
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17-8-6-5-7-14(17)16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyAQDGKSRNZFZIBJ-UHFFFAOYSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785259
1-[2-(2-methylpropoxy)-2-oxoethyl]piperidine-2-carboxylic acid
CID 82223992
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 119928311
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909272
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954
1-(3,7-dimethyloctyl)piperidine-2-carboxylic acid
CID 169208784
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441174) is 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is CC(C)CN(CC(C)C)C(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is AQDGKSRNZFZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)9-18(10-13(3)4)15(19)11-17-8-6-5-7-14(17)16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).