(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 119366095

IUPAC(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CCCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(2)14-11(16)6-3-7-12(17)15-8-4-5-10(15)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t10-/m0/s1
InChIKeyLDHLDYWLVUUFMF-JTQLQIEISA-N
MW270.33 g/mol
LogP0.76
Rot. Bonds6

About (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119366095) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119366095
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CCCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9(2)14-11(16)6-3-7-12(17)15-8-4-5-10(15)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t10-/m0/s1
InChIKeyLDHLDYWLVUUFMF-JTQLQIEISA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 119355725
1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356885
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
CID 122113639
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2S)-1-(14-deuteriotetradecanoyl)pyrrolidine-2-carboxylic acid
CID 139795188

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid (CID 119366095) is (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid is CC(C)NC(=O)CCCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LDHLDYWLVUUFMF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)14-11(16)6-3-7-12(17)15-8-4-5-10(15)13(18)19/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119366095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).