5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid

C11H20N2O3 — CID 62963898

IUPAC5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H20N2O3/c1-8(5-11(15)16)4-10(14)13-3-2-9(6-12)7-13/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyWZLGLUFHUZBFRG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds5

About 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid

5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid (PubChem CID 62963898) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
PubChem CID62963898
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC(CN)C1
InChIInChI=1S/C11H20N2O3/c1-8(5-11(15)16)4-10(14)13-3-2-9(6-12)7-13/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyWZLGLUFHUZBFRG-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
5-[3-(aminomethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62934768
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119484003
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119485084

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid (CID 62963898) is 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCC(CN)C1.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid?
The InChIKey is WZLGLUFHUZBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(5-11(15)16)4-10(14)13-3-2-9(6-12)7-13/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid?
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).