(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid

C13H20N2O6 — CID 107039270

IUPAC(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C13H20N2O6/c1-2-21-11(17)6-4-9(13(19)20)15-12(18)8-3-5-10(16)14-7-8/h8-9H,2-7H2,1H3,(H,14,16)(H,15,18)(H,19,20)/t8?,9-/m0/s1
InChIKeyNWXKGSBMFYHOBJ-GKAPJAKFSA-N
MW300.31 g/mol
LogP-0.57
Rot. Bonds7

About (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid

(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid (PubChem CID 107039270) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
PubChem CID107039270
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C13H20N2O6/c1-2-21-11(17)6-4-9(13(19)20)15-12(18)8-3-5-10(16)14-7-8/h8-9H,2-7H2,1H3,(H,14,16)(H,15,18)(H,19,20)/t8?,9-/m0/s1
InChIKeyNWXKGSBMFYHOBJ-GKAPJAKFSA-N
XLogP-0.57
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S,4S)-2-amino-5-(4-amino-3-ethoxycarbonylpiperidin-1-yl)-4-fluoro-5-oxopentanoic acid
CID 167899564
(2S)-2-acetamido-2-(oxan-4-yl)acetic acid
CID 27281352
(2S)-4-amino-2-[(5-methoxy-2-methyl-5-oxopentanoyl)amino]-4-oxobutanoic acid
CID 54468439
(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetic acid
CID 58153262
2-amino-5-[[(1S)-1-(oxan-4-yl)ethyl]amino]-5-oxopentanoic acid
CID 67368446
(2R)-2-[(4-ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid
CID 69320155
2-[(4-Ethoxy-4-oxobutyl)amino]-5-oxo-5-piperidin-1-ylpentanoic acid
CID 69694546
2-(2-Methylbutanoylamino)-2-(oxan-4-yl)acetic acid
CID 76688308
(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
CID 91214674
2-[(5-Amino-2-methylpentanoyl)amino]pentanedioic acid
CID 113440931
(4R)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 130272533
2-Amino-5-[[1-(4-methylpentoxy)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 134573864

Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid (CID 107039270) is (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid is CCOC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is NWXKGSBMFYHOBJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-2-21-11(17)6-4-9(13(19)20)15-12(18)8-3-5-10(16)14-7-8/h8-9H,2-7H2,1H3,(H,14,16)(H,15,18)(H,19,20)/t8?,9-/m0/s1.
What are the key properties of (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 300.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107039270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).