5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid

C10H17NO4 — CID 89296216

IUPAC5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
SMILESCCC(=O)[C@H](C)NC(=O)CCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(12)7(2)11-9(13)5-4-6-10(14)15/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyJSFHAGNDHYOLMT-ZETCQYMHSA-N
MW215.25 g/mol
LogP0.73
Rot. Bonds7

About 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid

5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid (PubChem CID 89296216) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
PubChem CID89296216
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
SMILESCCC(=O)[C@H](C)NC(=O)CCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(12)7(2)11-9(13)5-4-6-10(14)15/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyJSFHAGNDHYOLMT-ZETCQYMHSA-N
XLogP0.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
2-(hexanoylamino)propanoic acid
CID 2828500
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid (CID 89296216) is 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid is CCC(=O)[C@H](C)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid?
The InChIKey is JSFHAGNDHYOLMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-8(12)7(2)11-9(13)5-4-6-10(14)15/h7H,3-6H2,1-2H3,(H,11,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid?
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 89296216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).