(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 70548468

IUPAC(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCC(N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-19-10(15)6-5-8(13)11(16)14-7-3-4-9(14)12(17)18/h8-9H,2-7,13H2,1H3,(H,17,18)/t8?,9-/m0/s1
InChIKeyCSDFNNXSDAZJHT-GKAPJAKFSA-N
MW272.30 g/mol
LogP-0.27
Rot. Bonds6

About (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 70548468) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID70548468
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)CCC(N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-2-19-10(15)6-5-8(13)11(16)14-7-3-4-9(14)12(17)18/h8-9H,2-7,13H2,1H3,(H,17,18)/t8?,9-/m0/s1
InChIKeyCSDFNNXSDAZJHT-GKAPJAKFSA-N
XLogP-0.27
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 11218768
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
1-[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18220790
(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid
CID 67280679
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 3037777
(2S)-1-[(2S)-2-[[(2S)-2-[(4-ethoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70491895
(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylic acid;hydrobromide
CID 131697995
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
(2S)-1-[(2S)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoyl]pyrrolidine-2-carboxylic acid
CID 149437590

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid (CID 70548468) is (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid is CCOC(=O)CCC(N)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CSDFNNXSDAZJHT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-19-10(15)6-5-8(13)11(16)14-7-3-4-9(14)12(17)18/h8-9H,2-7,13H2,1H3,(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-5-ethoxy-5-oxopentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70548468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).