(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid

C13H20N2O5 — CID 75489463

IUPAC(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@H](NC(=O)CCc1cc(OC)no1)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-4-8(2)12(13(17)18)14-10(16)6-5-9-7-11(19-3)15-20-9/h7-8,12H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t8-,12+/m1/s1
InChIKeyZJFQNIBNLNYQAO-PELKAZGASA-N
MW284.31 g/mol
LogP1.23
Rot. Bonds8

About (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid

(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid (PubChem CID 75489463) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid
PubChem CID75489463
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@H](NC(=O)CCc1cc(OC)no1)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-4-8(2)12(13(17)18)14-10(16)6-5-9-7-11(19-3)15-20-9/h7-8,12H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t8-,12+/m1/s1
InChIKeyZJFQNIBNLNYQAO-PELKAZGASA-N
XLogP1.23
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 91636635
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680
(2S)-2-[3-(2-methoxyphenyl)propanoylamino]-3-methylpentanoic acid
CID 61172911
3-methyl-2-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119212051
(2S,3S)-2-[3-(2-bromophenyl)propanoylamino]-3-methylpentanoic acid
CID 119193793
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid?
The IUPAC name of (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid (CID 75489463) is (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid is CC[C@@H](C)[C@H](NC(=O)CCc1cc(OC)no1)C(=O)O.
What is the InChIKey of (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid?
The InChIKey is ZJFQNIBNLNYQAO-PELKAZGASA-N. The full InChI is InChI=1S/C13H20N2O5/c1-4-8(2)12(13(17)18)14-10(16)6-5-9-7-11(19-3)15-20-9/h7-8,12H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t8-,12+/m1/s1.
What are the key properties of (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid?
(2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[3-(3-methoxy-1,2-oxazol-5-yl)propanoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 75489463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).