1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid

C14H24N2O5 — CID 115918606

IUPAC1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
SMILESCC(C)(C)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)15-6-4-11(17)16-7-5-9(12(18)19)10(8-16)13(20)21/h9-10,15H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHPHBLWROHAVXAX-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.40
Rot. Bonds5

About 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid

1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid (PubChem CID 115918606) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
PubChem CID115918606
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
SMILESCC(C)(C)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)15-6-4-11(17)16-7-5-9(12(18)19)10(8-16)13(20)21/h9-10,15H,4-8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHPHBLWROHAVXAX-UHFFFAOYSA-N
XLogP0.40
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
1-(2-propoxyacetyl)piperidine-3,4-dicarboxylic acid
CID 107938324

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid (CID 115918606) is 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid is CC(C)(C)NCCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is HPHBLWROHAVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)15-6-4-11(17)16-7-5-9(12(18)19)10(8-16)13(20)21/h9-10,15H,4-8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid?
1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).