4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid

C12H22N2O3 — CID 113417412

IUPAC4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC1CCN(C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-9-6-7-14(8-9)12(17)10(13)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyRCGYANYKAJIOBQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

About 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid

4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid (PubChem CID 113417412) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
PubChem CID113417412
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC1CCN(C(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-9-6-7-14(8-9)12(17)10(13)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyRCGYANYKAJIOBQ-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
2-methyl-3-oxo-3-(3-propylpyrrolidin-1-yl)propanoic acid
CID 114898961
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
CID 107217500
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid (CID 113417412) is 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid is CCCC1CCN(C(=O)C(N)CCC(=O)O)C1.
What is the InChIKey of 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is RCGYANYKAJIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-9-6-7-14(8-9)12(17)10(13)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid?
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 113417412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).