1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H27N3O3 — CID 61159988

IUPAC1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCC(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11(2)16-10-14(19)17-8-5-12(6-9-17)18-7-3-4-13(18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21)
InChIKeyGZJNBYIISWFNSJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.52
Rot. Bonds5

About 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61159988) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61159988
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCC(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-11(2)16-10-14(19)17-8-5-12(6-9-17)18-7-3-4-13(18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21)
InChIKeyGZJNBYIISWFNSJ-UHFFFAOYSA-N
XLogP0.52
TPSA72.88 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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
1-[1-(2-methylpentanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020562
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 80542423
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
1-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 64612230
(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
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232
1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54907006

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61159988) is 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C)NCC(=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is GZJNBYIISWFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)16-10-14(19)17-8-5-12(6-9-17)18-7-3-4-13(18)15(20)21/h11-13,16H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61159988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).