1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 63148765

IUPAC1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-11(10(15)16)5-6-13(7-11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyFUKZNABNHJKWLT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds5

About 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63148765) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63148765
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-11(10(15)16)5-6-13(7-11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyFUKZNABNHJKWLT-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 55165973
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148630
1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068653
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
1-[(2S)-2-amino-3-methylbutanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55167103
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068753
1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 63148765) is 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(N)=O)C1.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is FUKZNABNHJKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-11(10(15)16)5-6-13(7-11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).