1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H27N3O3 — CID 80542423

IUPAC1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(CCN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11(4-7-16)14(19)17-9-5-12(6-10-17)18-8-2-3-13(18)15(20)21/h11-13H,2-10,16H2,1H3,(H,20,21)
InChIKeyQRGDAWCHIWAPBY-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.51
Rot. Bonds5

About 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 80542423) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID80542423
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(CCN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11(4-7-16)14(19)17-9-5-12(6-10-17)18-8-2-3-13(18)15(20)21/h11-13H,2-10,16H2,1H3,(H,20,21)
InChIKeyQRGDAWCHIWAPBY-UHFFFAOYSA-N
XLogP0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpentanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020562
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 106112353
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54907006
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019409
4-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutan-1-one
CID 80544959
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80543127

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 80542423) is 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(CCN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is QRGDAWCHIWAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(4-7-16)14(19)17-9-5-12(6-10-17)18-8-2-3-13(18)15(20)21/h11-13H,2-10,16H2,1H3,(H,20,21).
What are the key properties of 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 80542423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).