(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid

C14H22N2O4 — CID 78975515

IUPAC(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CCC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)7-12(14(18)19)15-13(17)6-5-11-9(3)16-20-10(11)4/h8,12H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeyDWHNSSNEVYRKJV-GFCCVEGCSA-N
MW282.34 g/mol
LogP1.84
Rot. Bonds7

About (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid

(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid (PubChem CID 78975515) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
PubChem CID78975515
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CCC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)7-12(14(18)19)15-13(17)6-5-11-9(3)16-20-10(11)4/h8,12H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeyDWHNSSNEVYRKJV-GFCCVEGCSA-N
XLogP1.84
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methoxypropanoic acid
CID 81076465
(2R)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 78975778
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 61136408
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
4-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119188464
(2S)-5-amino-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 61145159
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-phenylpropanoate
CID 51072879
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid (CID 78975515) is (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid is Cc1noc(C)c1CCC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid?
The InChIKey is DWHNSSNEVYRKJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(2)7-12(14(18)19)15-13(17)6-5-11-9(3)16-20-10(11)4/h8,12H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid?
(2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 78975515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).