(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid

C10H14N4O6 — CID 106403079

IUPAC(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C10H14N4O6/c1-19-8(15)3-2-6(9(16)17)13-10(18)11-4-7-12-5-20-14-7/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,13,18)/t6-/m1/s1
InChIKeyDTMKCYAIDYGENR-ZCFIWIBFSA-N
MW286.24 g/mol
LogP-0.72
Rot. Bonds7

About (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 106403079) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID106403079
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Name(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C10H14N4O6/c1-19-8(15)3-2-6(9(16)17)13-10(18)11-4-7-12-5-20-14-7/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,13,18)/t6-/m1/s1
InChIKeyDTMKCYAIDYGENR-ZCFIWIBFSA-N
XLogP-0.72
TPSA143.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403428
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
(2R)-4-methylsulfanyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404594
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828859
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2S)-2-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828861
(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114005908
4,4-dimethyl-2-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 106403284
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
CID 106402767

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (CID 106403079) is (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is DTMKCYAIDYGENR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4O6/c1-19-8(15)3-2-6(9(16)17)13-10(18)11-4-7-12-5-20-14-7/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,13,18)/t6-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 286.24 g/mol, XLogP of -0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106403079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).