3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid

C9H17N3O3 — CID 107324385

IUPAC3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(CN1CCC(N)(C(=O)O)C1)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(7(10)13)4-12-3-2-9(11,5-12)8(14)15/h6H,2-5,11H2,1H3,(H2,10,13)(H,14,15)
InChIKeyOZQMDGCMEULRMM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.40
Rot. Bonds4

About 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324385) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
PubChem CID107324385
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
SMILESCC(CN1CCC(N)(C(=O)O)C1)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(7(10)13)4-12-3-2-9(11,5-12)8(14)15/h6H,2-5,11H2,1H3,(H2,10,13)(H,14,15)
InChIKeyOZQMDGCMEULRMM-UHFFFAOYSA-N
XLogP-1.40
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methyl-3-oxopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984514
3-amino-1-(2,2-diethoxyethyl)pyrrolidine-3-carboxylic acid
CID 107324566
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-(3,3-diethoxypropyl)pyrrolidine-3-carboxylic acid
CID 107324313
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324268

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid (CID 107324385) is 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid is CC(CN1CCC(N)(C(=O)O)C1)C(N)=O.
What is the InChIKey of 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OZQMDGCMEULRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(7(10)13)4-12-3-2-9(11,5-12)8(14)15/h6H,2-5,11H2,1H3,(H2,10,13)(H,14,15).
What are the key properties of 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).