(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid

C13H17NO6 — CID 107039288

IUPAC(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C13H17NO6/c1-3-19-11(15)5-4-10(13(17)18)14-12(16)9-6-7-20-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1
InChIKeyULTCQNJIYCKQGZ-JTQLQIEISA-N
MW283.28 g/mol
LogP1.11
Rot. Bonds7

About (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107039288) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107039288
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCCOC(=O)CC[C@H](NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C13H17NO6/c1-3-19-11(15)5-4-10(13(17)18)14-12(16)9-6-7-20-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1
InChIKeyULTCQNJIYCKQGZ-JTQLQIEISA-N
XLogP1.11
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
(2S)-5-ethoxy-2-[(2-iodobenzoyl)amino]-5-oxopentanoic acid
CID 107039298
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
(2S)-2-[(3-bromothiophene-2-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039188
(2S)-5-ethoxy-5-oxo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107039318
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723

Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid (CID 107039288) is (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid is CCOC(=O)CC[C@H](NC(=O)c1ccoc1C)C(=O)O.
What is the InChIKey of (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ULTCQNJIYCKQGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO6/c1-3-19-11(15)5-4-10(13(17)18)14-12(16)9-6-7-20-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 283.28 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107039288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).