(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid

C11H18N4O4 — CID 78977210

IUPAC(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1noc(CNC(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H18N4O4/c1-6(2)4-8(10(16)17)14-11(18)12-5-9-13-7(3)15-19-9/h6,8H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)/t8-/m1/s1
InChIKeyFVESWIQIJIHSOK-MRVPVSSYSA-N
MW270.29 g/mol
LogP0.68
Rot. Bonds6

About (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid

(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 78977210) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
PubChem CID78977210
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
SMILESCc1noc(CNC(=O)N[C@H](CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H18N4O4/c1-6(2)4-8(10(16)17)14-11(18)12-5-9-13-7(3)15-19-9/h6,8H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)/t8-/m1/s1
InChIKeyFVESWIQIJIHSOK-MRVPVSSYSA-N
XLogP0.68
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
(2S)-2-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 61163276
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
(2S)-4-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106420662
(2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106420767
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 63830703
4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
CID 108812104
4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 43353375
(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid (CID 78977210) is (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid is Cc1noc(CNC(=O)N[C@H](CC(C)C)C(=O)O)n1.
What is the InChIKey of (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FVESWIQIJIHSOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-6(2)4-8(10(16)17)14-11(18)12-5-9-13-7(3)15-19-9/h6,8H,4-5H2,1-3H3,(H,16,17)(H2,12,14,18)/t8-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 78977210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).